APPENDIX

Table of Contents

I. Home

11. About Us

A. Mission

B. History

C. Conferences

D. Board

E. Participation

111. Spectral Database

A. About the Database

B. Search Edition 2000

1. Search Engine

2. Search Results

3. Spectrum Graphics Page

4. "How to Read the Title Line" Key

C. Edition 2000 Common Name Index

D. Contributing Individuals

E. Contributing Institutions

F. JCAMP Paper

G. Database Feedback

IV. Bibliography

A. About the Bibliography

13. Sea-cl~ the Bibliography

C. Bibliography Feedback

V. Credits

A. Current Review Committee

B. Contributing Individuals

C. Contributix~g Institutions

D. Support

VI. Site Services - IRUG Login

A. How to Submit a Spectrum

1. Begin New

2. Check and Send Submissio~ls

3. Check Submissioil Status

B. Review Committee Software

1. Review and Evaluate New and Undecided Submissions

2. List Decided Submissions Sent to Sr. Editors

C. Senior Editor Software

1. Check Review Decisions and Vote

2. Return Submissiol~s

3. Make Find ApprovaIs

4. Senior Editor Discussion Forum

D. View Approved Submissions

E. Online BibIiography

I . Submit New Citation from Book

2. Submit New Citation from Periodical

3. Subinit New Citation from An Electronic Publication

4. List Non-Approved Citations

5. List Approved Citations

6. List All Citations

F. Get Database Updates

G. IRUG Community: R U G Discussion Forum

H. Spectral Database Info

1. Search Edition 2000: See Section 3B

2. JCAMP Information: See Section 3F

I. On-Line Help

5. Manage My Information

I . Edit My Profile

2. Reset My Passwo~.d

VII. Links

VIII. Site Info

A. Frequently Asked Questions (FAQ)

B. Website Feedback

C. Privacy Statement

D. Teclmical Requirements

E. Site Map

I. Home

lRUG Home

Homt

Welcome Guest!

' infrared and Raman Users Group

# A colfobwation to encourage the exchange of information, develop IR and Raman spectral

C+J standards, and distribute comparative spectrui dara for the study of works of art, architecture, and urcheo[ogica! moteriais.

I Current News ]

Get Ready for IRUG 6 Conference!

Date: 29 March - 1 April 2004 Location: Florence. Italy Host: Institute for Applied Physics "Nello Carrara" (IFAC) of the Italian National Research Council (CNR) - Abstract Submission Deadline: 30 September 2003 Abstract must be sent as attached file (RTF or DOC) to: m.picolloOifac.cnr.it For Late registration please contact Marcello Picollo, rn.wicollo0ifac.cnr.it

Edition 2000 Spectral Database ClickHere .Ta..5earch_l\_low

Want to get involved? Click Here to Request More Info.

North k South America

Beth Price Philadelphia Museum of Art Tel: + I 21 5 684 7552 Fax: +1 21 5 684 7550 email: bprice@philarnuseum.org

Europe

1 Support Pravided By: 1 - -

NCPTT I Natloml hntu for Prcurrrlfam Ichnalogy md Tnt- I -- I

The Infrared and Raman Users Group (IRUG) website was partially developed under a grant from the National center for ~reservaliofl Technology and Training (NCPTT). Its contents are solely the responslbllity of IRUG and do not necessarily represent the official posltlon or poticles of the National Park Service or the NCPTT.

PHILADElPHlA MUSEUM OF ART

Technical Requirements This web site Is designed for use by Microsoft Internet Explorer version 4.0 and newer and Netscape Navigator versions 4.77 and newer and is best viewed at 1024 x 768. Cookies ore required to use Account Servlces

Boris Pretzel Victoria 8 Albert Museum +44 (0)20 7942 21 1 6 +44 (0)20 7942 2092 email: boris,preSze\@~am,ac,-&

Africa, Asia, Australia

Janice Carlson Philadelphia Museum of Art Tel: +1 302 239 2158 Fax: +I 21 5 684 7550 emaiL: j ~cadson l @-comcast,net

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11. About Us

IRUG Organization - Welcome Guest!

1 nts~ory t rdnfwences I Board I Participation 1

The international Infrared and Raman Users' Group (IRUG) is dedicated to the professional development of its members by providing a forum for the exchange of infrared (IR) and Rarnan spectroscopic information, reference spectra and materials. IRUG is composed primarily of individuals within the art conservation and historic preservation fields who use IR and Raman spectroscopy t o study the world's cultural heritage.

At biennial meetings, the IRUG initiative Is sustained by members and invited speakers who present papers on a range of topics. A primary goal of IRUG is to improve and expand the data generated and shared by its members. Toward this end, a cooperative database of IR and Raman spectra relevant to cultural materials has been undertaken.

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IRUG History

" I " W J . ' I Mission

-

Welcome Guest!

codwences I Board I Participatl~n I

History of IRUG and the Spectral Database

]RUG i s an independent not-for-profit corporation of individuals who use infrared and Raman spectroscopy for the study of the world's cultural heritage. Originating in the United States in 1993, the Group facilitates the development and distribution of reliable reference spectra and spectral standards for the art conservation and historic preservation communities. IRUG also encourages the professional development of it participants through biennial conferences where spectroscopic information i s exchanged and papers presented.

The first formal meeting of IRUG was held at the Philadelphia Museum of Art, in 1994. Subsequently, conferences took place at the Victoria and Albert Museum, London (1995); Winterthur Museum, Garden and Library, Winterthur, Delaware (1998); Bonnefanten Museum, Maastricht (2000); and Getty Conservation Institute, Los Angeles (2002). Over the years, participation in IRUG has grown. Accordingly, in 1998, the Group adopted a committee-based structure with regional chairs. In 1999, IRUG broadened its scope and thus changed its name from the lnfrared Users Group to the lnfrared and Raman Users Group. In 2001, it incorporated as a not-for-profit in the State of Pennsylvania with a governing Board of Di~ectors.

A major focus of IRUG throughout its history has been the development of its collaborative Database of spectra of artists' and related materials. Early compilations were distributed in 1993 and 1995. Later, a reliable, customized spectral file format using the standardized protocol, JCAMP-DX was developed. In 1999, a review committee met at the lstituto di Ricerca Sulle Onde Elettromagnetiche (IROE-CNR) in Florence, Italy to evaluate spectra using uniform criteria for quality and accuracy of material identification. The reviewed spectra were then formatted and compiled as the lnfrared and Raman Users Group Spectral Database - Edition 2000, which was distributed i n 2001.

Today, IRUG has an Internet presence, which you are currently visiting. The web site includes a publicly viewable and searcbab.le~e1~j~of_Editip1?~2O~~Q - the continuing collaborative collection of high quality reference spectra, an on- 1i~~bLj~ogr.qp.D.Y of spectroscopic and related Literature, a discussion forum. The success of ]RUG and its Database has been due in large part to the support of a community that represents conservation and historic preservation endeavors on an international scale, beyond the interests of any single institution or organization. I ts growth and accomplishments are the product of the collaborative efforts of the larger scientific community in conservation, which it is intended to serve.

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IRUG Conferences, Past, Present and Future

Welcome Guest!

I Mlsslon I Hlstory Board I Participation I

IRUG Conferences: Past, Present and Future IRUG conferences, which are held every two years, encourage professional development and enhance a sense of community.

Institute for Applied Physics "Nello Carrara", Florence, Italy

29 March - 1 April 2004 - Abstract Submission Deadline: 30 September 2003 = For Late registration please contact Marcello Picollo, ro,picollo@ifac.cnr.it

Fifth International lnfrared and Raman Users Group Conference

February 2002 Getty Conservation Institute, Los Angeles, CA, US

IRUG4: The Fourth lnfrared Users' Group Meeting in Conservation Science

February 2000 Bonnefantenmuseum, Maastricht, The Netherlands

Editing Committee Meeting: Infrared and Raman Users Group Spectral Database@

May 1999 lstituto di Ricerca Sulle Onde Elettromagnetiche Florence, ltaly

May 1998 Winterthur Museum, Gardens and Library, Winterthur, DE, US

Proem

IRUG Conferences, Past, Present and Future

September 1995 Victoria and Albert Museum, London, UK

View om or download IRUGZ Postprints

March 7994 Philadelphia Museum of Art, Philadelphia, PA, US

infrared User's Group (IRUG) for the Analysis of Artistic and Historic Materials

View Meeting Program o m

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IRUG Board

Board of Directors

-1 L Welcome Guest!

I name --.I F~al'~ati5a~~i~g?Z~h3"I'"‘~rdifr f i m m 1 Mlssioh I nlxary I bonfwences I L " e r t l c i p a t i o n 1

a Janice Carlson, Winterthur Museum, Winterthur, DE, US

a Kate Duffy, Williamstown Art Conservation Center, Williamstown, MA, US

a Herant Khanjian, Getty Conservation Institute, Los Angeles, CA, US

a Suzanne Quillen Lomax, National Gallery of Art, Washington, DC, US

a Richard Newman, Museum of Fine Arts, Boston, MA, US

a Marcello Picollo, Institute for Applied Physics "Nello Carrara", CNR, Firenze, IT

Boris Pretzel, Victoria and ALbert Museum, London, UK

Beth Price, Philadelphia Museum of Art, Philadelphia, PA, US

a Masanori Sato, Nara Cultural Research Institute, Nara JP

a Manfred Schreiner, Academy of Fine Arts, Institute of Chemistry, Vienna, AU

a Raymond White, National Gallery of Art, London, UK

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IRUG Organization

Welcome Guest!

p&tra Data t i i r t c e s I Mission I Hlstary r ~ a n f s e n c e s I Board Lha-La-- '

Participation in IRUG

Participation in IRUG i s open to all individuals who actively use and maintain a serious interest in infrared or Raman spectroscopy for the technical analysis of cultural property. Most participants are conservation scientists, but the group also includes several conservators and conservation students as well as individuals from academia and industry. Applications for membership are reviewed by the Directors. Contact the appropriate chairperson for your region for information. Members may may update their user profiles in Site Services.

North Et South America

Beth Price Philadelphia Museum of Art Tel: +I 21 5 684 7552 Fax: +1 21 5 684 7550 email: bpnce@philamuseum.orj

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Europe

Boris Pretzel Victoria Et Albert Museum *44 (0)20 7942 21 16 +44 (0)20 7942 2092 email: b~cis..pr.etzelOvam.ac.uk

Africa, Asia, Australia

Janice Carlson Philadelphia Museum of Art Tel: +1 302 239 2158 Fax: +1 215 684 7550 email: jncarlsonl @comcast.net

111. Spectral Database

IRUG Spectral Database Info

.i Welcome Guest!

t us - -1 V c i F d i t r s i t e ~ e i i ; i C e T T " ' i T K s " T T t ~ ~ a Search ~Jition 2000 1 Edition 4uud Index I Contributing Individuals I Contributing Institutions I JCAMP Paper I Feedback I

The IRUG Database - A Collaborative FTlR Library

The Infrared and Raman Users Group (IRUG) Spectral Database0 is an ongoing, collaborative compilation of peer- reviewed spectra of artists' and related materials for the study of the world's cultural heritage. Currently, the Database contains over 1250 spectra of oils, waxes, natural and synthetic resins, dyes, pigments, proteins, gums, and minerals. Scientists and other professionals from the art conservation, historic preservation, and academic communities have generously contributed their spectra to the Database (!.~divid.u.ds, !.nstitutions).

Early draft versions of the Database, containin2 "as-contributed" JCAMP-DX spectra, were issued in June 1993 and June 1995. To enhance spectral quality and accuracy of sample identification, peer review was implemented in 1999 (R.ev.ie.~Commi.tteee). A customized [RUG-JCAMP-DX format (JCAMP paper) was also developed to ensure file uniformity and to incorporate both numerical data and descriptive text (sample, instrument, and analysis conditions) into the spectral files. Important details such as sample age, color, source, mw, formula, detector limits, sample preparation, etc. make the IRUG files independent, complete data records. Utilizing these protocols, the latest database version - [RUG Spectral Database, Edition 2000 - was compiled and distributed i n printed and digitized formats i n 2001.

Edition 2000 was made publicly viewable and keyword searchable via the IRUG website, in 2002. The JCAMP-DX files are currently available to not-for-profit institutions and/or individuals in return for contributions of 10 or more accepted spectra or standards. Contributors license accepted spectra to IRUG for compilation and distribution while retaining the copyright on their own submitted data. IRUG continues to solicit spectra and materials, especially those that are not well represented in the Database (Common-Name Index). Spectral files may be submitted via the IRUG web site (Site Services). Contact your regional chairperson to learn how to participate. (Regional-Chairs)

North ti South America

Beth Price Philadelphia Museum of Art Tel: +I 215 684 7552 Fax: + I 215 684 7550 email: bprice@philamuseum.ocg

Europe

Boris Pretzel Victoria ti. Albert Museum +44 (0)20 7942 21 1 6 +44 (0120 7942 2092 email: boris,pretzel@vam.ac.uk

Africa, Asid, Australia

Janice Carlson Philadelphia Museum of Art Tel: +I 302 239 21 58 Fax: +1 215 684 7550 emaiL: jncarlsonl Worncast .net

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IRUG Edition 2000 Search Page

am -"=cti I About the Database

Database - Welcome Guest!

W o n 2000 Index I Contributing Individuals I Contributing InstRutions I J m M P Paper I Feedback 1

IRUG Spectral Database Edition 2000 Search Engine 1 have read and accept the Lerms of U!a-d-LegaLCmditLons

Common name keyword search: Jglue . . . . . - - - . .... - . .. . - - -. . . . . . - ... .- - -. . - . .. - - - . .. . . - .. - .. . To search the IRUG Edition 2000 Database, enter search terms and click the Search button below.

6 Match A t Least One Keyword

r Match Every Keyword

@ Match Keywords Loosely (e.2. "carbon" matches "carbonate")

r Match Keywords Exactly (e.2. "carbon" will not match "carbonate")

Click Here'To Begin Search

Prepared b y Beth Price Boris Pretzel

Philadelphia Museum of Art Victoria & Albert Museum Principal Editors

Janice Carlson Winterthur Museum Winterthur, DE, US

Elizabeth Bowman Philadelphia Museum of Art

Philadelphia, PA, US

Herant Khanjian Getty Conservation lnstitute

Los Angeles, CA, US

James Martin Williamstown Art Conservation Center

Williamstown MA, US

Mark Ormsby National Archives and Records

Administration Washington, DC, US

Marcello, Picallo lstituto di Ricerca Sulle Onde

Elettromagnetiche, Consiglio Nationale delle Ricerche

Firenze, IT

Renee Stein Metropolitan Museum of Art

New York, NY, US

Boris Pretzel Victoria and Albert Museum

London, UK Editors

Janet Douglas Freer Gallery of Art,

Smithsonian Institution Washington, DC, US

Suzanne Quillen Lornax National Gallery of Art

Washington, DC, US

Mitsuru Mimura Nara Cultural Research lnstitute

Nara, JP

Anne Peranteau Philadelphia Museum of Art

Philadelphia, US

Manfred Schreiner Academy of Fine Arts, lnstitute of Chemistry

Vienna, AU

Masahiko Tsukada The National Museum of Western Art

Tokyo, JP

Beth Price Philadelphia Museum of Art

Philadelphia, PA, US

Sandhya Jaln Conservation Center of the lnstitute of

Fine Arts, New York University New York, NY, US

Christopher Maines National GalIery of Art

Washington, DC, US

Richard Newman Museum of Fine Arts

Boston, MA, US

Masanori Sato Nara Cultural Research lnstitute

Nara JP

Amy Snodgrass Straus Conservation Center

Harvard University Art Museums Cambridge, MA, US

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IRUG Edition 2000 Search Results

TH-I' irisout ui I Ahout the Database

Welcome Guest!

~ [ ~ - " ~ ~ ~ ~ C ~ ~ J ~ I ~ I lition 2000 Index I Contributing Indiutduals I Contributing Institutions I JCAlvlP Paper I ~ e d b a c k I

IRUG Spectral Database Edition ZOO0 Search Results

Search Terms: "'glue*" Begin New-Search ModBLearch

Next. >> Last >>

IMX00020. OX (Mixtures)

Indigo in rabbit skin glue Straus Conservation Center (Foge), Harvard University Art Museums

(Proteinaceous Materials)

M.H. De Young Museum

(Proteinaceous Materials)

Glue, animal, pearl British Museum

!PRO001 0.DX (Proteinaceous Materials)

Glue Philadelphia Museum of Art

IPR00016.DX

Glue, hide, German

(Proteinaceous Materials)

Williamstown Art Conservation Center -

I PR00017. OX -.-

Glue, rabbit skin, unbleached

- - -- -

(Proteinaceous Materials)

Philadelphia Museum of Art

lPR0003.9, OX Glue, hide

(Proteinaceous Materials)

Philadelphia Museum of Art

IPRQ0020. DX (Proteinaceous Materials)

Glue, hide, German Philadelphia Museum of Art

lPR00036.DY (Proteinaceous Materials)

Glue, deer, Grabar Art Conservation Center (Russian Scientific Conservation Center Russian named after Grabar)

IPR00037.DY (Proteinaceous Materials)

Ghe, hare, Grabar Art Conservation Center (Russian Scientific Conservation Center ~ussian named after Grabar)

Results 1 to 10 of ( 11)

Begb-New-Search Modify.Se.arch Next ,> Last ??

\Veb site by Digital Brid#cvfay. Inc.

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Edition 2000 Index

-r- 'ffwyml I About the Database I Searct

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7 Contributing ~ndivlduals 1 Contribubing Instkutjons I JCAMP Paper I F ~ d b a c k I

u (Material Crass Code Kev) (Institution Acronym Index) (How to Read an [RUG Title Line)

Common Name Abies spectabillis resin Acacetin, 5,7-dihydroxy-4'-methoxyfl- done

Acacia gum Acacia gum, from Acacia species Acetate "silk", cellulose acetate Acrocryl63822 Acrocry163943 Acryloid B-48N Acryloid 8-67 film, aged

Acryloid 8-47, poly(iso-butyl methacryate)

Acryloid 8-72, aged Acrylonitrile / butadiene / styrene resin

Agateen 27 Agateen 28, nitrocellulose

Agua-aceite, VanGogh PhthaIo Blue 570 Agua-aceite, VanGogh Zinc Whfte 104 Albite Albite Albite

Albumin

Albumin, chicken egg Alginic acid, sodium salt Alizarin

Alizarin crimson, light ALizarin red PS, mordant dye

Alizarin red 5 Alizarin red 55 Alizarin Yellow GGN, C l Mordant Yellow 1

Alizarin, I ,2 dihydroxyanth,raquinone

Alizarin, 97% pure Alkanet, aldanet, C1 Natural Red 20 Alkannin

Alkyd French ultramarine, with C03

Alkyd London Yellow

Alkyd Prussian Blue, with carbonate

Filename INR00191 .DX IOU001 39.DX lCB00018. DX ICB00042. DX lSROD062.DX

ISROOO22.DX tSR00023. DX lSR00032. DX

ISR00057.DX

ISROOO74. OX tSR00056. DX lSROOO95.DX

ISRO0050. DX

1SR00001 .DX lMX00013. DX IMXOD012. DX

IMP00171 .DX IMP001 72.DX

IMP00257. DX IPR00007.DX lPR00023.DX

ISR00093. DX

IODOO103.DX [OD00205. DX lOD00063 .DX IOD00062.DX

10D00064.DX IOD00211 .DX

lOD00192.DX

IOD00214.DX

IOD00095.DX

IODO0135.DX IMX00006. DX IMX00004. DX

IMX00003. DX

Material Class N R OD CB CB

SR S R SR

SR S R

SR

SR SR

S R

SR MX

MX MP

MP

MP

PR

PR

SR OD

OD OD

OD

OD OD

OD OD

OD

OD MX

MX MX

Institution

V A GCI deY NG

V A

PMA GCI GCI

GCI PMA NGA

PMA WM

WACC

GCI MNRS MN RS

PMA

PMA

PM A GCl

PMA WM GCI

GC I GC I

GC I

GCI GCI PMA

SCC

GCI

GCI MNRS

MNRS

MNRS

Edition 2000 Index

Alkyd Titanium White, with carbonate

ALkyd Viridian

Almond gum, garden prince, with some kaolinite

Alstonite

Alstonite

Alum

Alumina hydrate

Amaranth, CI Acid Red 27

Amber resin

Amber varnish B, aged

Amber, Baltfc

Amber, Battic Sea

Amber, Baltic, succinite

Amber, Baltic, succinite

Amber, Baltic, succinite, aged

Amber, Baltic, succinite, from Denmark

Amber, Baltic, succinite, from Denmark

Amber, non-Baltic

Amesite

Amesite

Amido Black IOB, CI Acid Black 1

Amido Naphthol Red G, CI Acid Red 1

Arnmoniacum gum, from Dorema arnmoniacurn

Amrnonial gum

Amphi bole

Anatase Anglesite

Anglesite

Anhydrite

Anhydrite

Anhydrite, gypsum impurity

Aniseed oil

Ankerite

Ankerite

Annatto, CI Natural Orange 4

Ancrthite

Anorthite

Anorthite

Anorthoclase

Anthraflavin acid, 2,6-dihydroxyanthraquinone Anthragallol

Anthrapurpurin

Anthrarufin, 1,5-dihydroxyanthraquinone Antigorite

Antiquax, natural

Antlerite

Antlerite

Antlerite

Apatite

Apatite

Apigenin

Apricot tree resin, darian, Egyptian

Aquacryl, Azure Blue 842

MX MNRS

MX MNRS

CB GC I

MP PMA

MP PMA

MP SCC MP SCC

OD GCI

N R BM

NR PMA

IIR BM N R PMA

NR V A

NR V A

N R V A

N R V A

NR V A

NR BM

MP PMA

MP PMA

OD GCI

OD GCl

CB V A

CB CIA

MP PMA

MP PMA

MP PMA

MP PMA

MP PMA

MP PMA

MP PMA

OF deYNG

MP PM A

MP PMA

OD GCI

MP PM A

MP PMA

MP PMA

MP PMA

OD GCI

OD GCI

OD GC I OD GCI

MP PMA

WX PMA

MP PMA

MP PMA

MP SCC

MP MMA MP PMA

OD GC I

CB deYNG

MX MNRS

Edition 2000 Index

Aquacryl, Lascaux Green 850 Aquacryl, Permanent Orange 820 Aquacryl, Permanent Yellow 81 2 Aquacryl, Transparent White 881

Aquadhere, poly(viny1 acetate) Aquazol 50, poty(2-ethyl-2-oxazoline) Aquazol500, poly(2-ethyl-2-oxazolinej

Arabic gum Arabic gum Arabic gum, from Acacia spp. Arabic gum, from Acacia spp.

Aragonite Aragonite

Aragonite, from shell, with some CH stretches Araldite Rapid standard Araucaria columnaris resin Araucaria columnarls resin

Archil Red, CI Acid Red 74

Arrowroot, Thai

Artinite Artinite

Asphalt Asphalt, Carnborne, UK Asphalt, lake, admix., Trinidad, with kaolinfe and quartz Asphalt, Lake, Trinidad, with kaolinite and quartz Asphalt, rock, Syrian, mainly calcite phase

Asphalt/ bitumen, France Asphaltite Asphalttte, aged Asphaltite-gilsonite, American

Asphaltum

Asphaltum Asphaltum Asphaltum, aged

Asphaltum, chocdolomite, Slovakia Asphaltum, Dead Se:., Palestine

Asphaltum, Longmynd beds, UK

Asphaltum, manjac, Trinidad Atacamite

Atacamite

Atacamite, natural Atacamite, paratacamite mixture

Atacamite, synthetic

Attapul~i te Augite

Augite Auramine, CI Acid Yellow 2 Aurichalcite

Azo Flavine 3R, CI Acid Orange 1

Azo Fuchsine 66, C1 Acid Violet 7 Azurite

Azurite

Azurite

MX MN RS

MX MN RS

M X MN RS MX MNRS

SR GCI SR PMA SR PMA CB GCI CB PMA

C5 V A

CB V A

MP PMA MP PMA

MP SCC SR TG

CB V A CB V A

OD GCI

CB PMA MP PMA

MP PM A NR V A

bI R V A NR BM NR V A

N R V A N R V A

N R V A

NR V A NR BM

NR SCC

NR V A NR SCC

NR V A

N R V A

NR V A NR V A

NR V A

MP PMA

M P SCC MP PMA

MP FG A MP PMA

MP PU4 MP W

MP P MA

OD GCI

MP PMA OD GCI

OD GC I

MP SCC

MP PMA MP PMA

Edition 2000 Index

Azurite

Azurite Azurite

Azurite

Azurite

MP PMA MP PMA

MP PMA

MP PMA

MP SCC

J?JR of Paee Wcb sitc bv Dipttal Crldgewav. Inc.

IRUG Edition 2000 Contributillg Individuals

Welcome Guest! . ..

I noma I MUUL LJ. r l Dl wemael\ 6 1 6 [ 1 b g ~ < ' r & d i f s ~ SGrv i i es I ; . T y-l ite Info

4 &out the Database I search Edition 2000 1 Edition 2000 Index k y m o n t r i b u k i n g Institutions I JCAMP Paper 1 Fedback I

IRUG Edition 2000 Kilian Anheuser Piero Baglioni Margaret Bolton Lesley Bone Steve Bouffard Elizabeth Bowman Mara Carnaiti Janice Carlson Mads Chr. Christensen Luigi Dei Michele Derrick Janet Douglas lnge Fiedler Tamas Gal Melena Gergen Donald Glusker Kate Helwig Jo Hill Helen Howard Howard Humecki Sigurdur Jakobsson Jack E. Katon Herant Khanjian Tanya Kieslich Jim Landry Patricia Lang Deborah Lau-Greig Tom Learner Peter Leavens Susan Lee-Bechtold Suzanne Quillen Lomax Sally Malenka James Martin Blythe McCarthy Pat McGovern Mary Miller Elizabeth Moffatt Andreas Morgos

North €t South America

Beth Price Philadelphia Museum of Art Tel: + I 215 684 7552 Fax: + I 215 684 7550 email: bprice@philamuseurn.org

Europe

Carmen Muro B. D. Nandadeva Beth Napier Richard Newman Eugenia Ordonez Mark Ormsby Andrew Parker Alan Phenix Marcello Picollo Jenny PiIc Francesca Pique Boris Pretzel Beth Price Anita Quye Sophia Lontai Santora Giuseppe Sarti Manfred Schreiner Bill Seldon Gretchen Shearer Yvonne Shashoua Christopher Sloper Amy Snodgrass Luiz Souza Herbert Stachelberger Harriett Stratis Dusan Stulik Jennifer Taylor David Thickett Klara Tijrok Masahiko Tsukada Sari Uricheck Javier Vasquez Negrete Alexey P. VLadimirov Siobhan Watts George Wheeler Nanda Wickramasinghe B. V. Zhadanov

Boris Pretzel Victoria & Albert Museum +44 (0)20 7942 21 16 +44 (0)ZO 7942 2092 email: boris.pretzel@vam.ac.uk

Africa, Asia, Australia

Janice Carlson Winterthur Museum Tel: +1 302 888 4732 Fax: +1 302 888 4838 email: jcarlson@winterthur.org

IRUG Spectral Database Info - Welcome Guest! -

I nume -I HUUUL US I ?m%'l ikifi@i%phqi' ' r ~ ? & d i t s 'I " ~ i t k ' 5 e i i i ~ I "Links' ' ]-'Site 1nf̂ o""'1 I &out +he Database I Search --Ittior. I Editi,. . 200 I Contributing Individuals m rl .)CAMP Paper I Fedback I

#-tstitutions Contributing w-ce 1993 h d e m v of Fine Arts. Institute of Chemisty. Vienna. AT

Am eri.canMuse.um -of_latu~al Histo.~Ne.wYorlr,U.S Archaeological Department, Colombo, LK ACt..lnsti tute Chicago., .Chicago., U S Ba l l State-University .,. Munci-e,, US British Museum, London. UY

Canadiat?_Co.nsa~ation~los.titute,.Ottawa,~CA

C v a ~ ~ W ~ y L ~ o ~ l of His t ~ ~ ~ y L a r d i f ~ , _ U X CECOR :.Escola .de Bela Artes,.Fede.ral.University .of-Minas Gerais, BR Centro. .Opere D'Arte, .C.ons.iglio.Nazi.~.nale.~d.eILe. Ricerche, Firenze, IT

Courtauldlnst i tut~ of Art. Universitv of London. London,-!&

Fre-er .t.allery~ffAr_t,. Sfm.itbbs.o~i.an.lnst.itutionIIWashinto, US G a v Conservation Institute . Los Anwles. US Grabar Art Conservation Center (Russian Scientific Conservation Center named after Grabar), Moscow, RU

H.arniltoo..Kecr Institute,.NMttle~ford, UK Muhorn Museum and Sculpture Garden, Smithzonian Institution, Washington..,. US Hungarian National Museum, Budapest,.-HU

W u W R e c e r c a Sulle Onde E L e t t r o m a ~ ~ ~ ~ C ~ 1 1 5 i e l i o bzi.o.nde-d.el Ricerche, Firenze, IT Lo.yolaLfdarymo.un_t. U_nlv_ersity., LosAngel.es,~US

M.H,D_e-Ysung,Museun!,..Sanlrsncis.c.o,-US MrCrone Research Institute. Chicago. US

Metrop.o~itao.Mus_eu.m_ofAb,-Ne~Y.o,rk,..US 1 University, Oxford, US

Mic.r~1analytic.al.~ese.a~~h~Cent~e,~5~~~0,0L0~Pi!y~ics, .University of Melbourne, AU

MuseoNacionaLLReiaa Sofiadadrid,_ES Museum Applied Science Center for Archaeology. Universitv of Pennsylvania, Phl!addelphjaaUS

Museum of Firle Arts .Boston, Boston, -US

Museurn of Modern Art, New Y & l l S National Archives.and Records,,Admiojstration, -Washington, US

NationaLCenterfor Pres.ep.ation,-Te.choIo.gy..and_Trai~ing, Na.tchitoches, US National Gallery. London. UK

Nationa~_l_Gallery-.of..Ar:ta-Wash_in~ton,_U N a t i o ~ . e u r n of Western Art. Takyn JP National Museums-and tallerieso.n.M.erseysid.e,.Liverpool, UK National Park Service, Harpers Fercy.,_.US

National School of Conservation, Mexico City, MX

0.rrnyLia.A~t-Diagnosis.Ce_ntce, Qrmy.lia,-G-R m of Art. P h r l a d e w

QueenIsu~vecsit~,Xi.n_gsto~A F(athgen~~~Wrscbu~gs1ab~o~~5taaSli~heM~~~e~ePr~uOi~.che~.Ku!turbesitz,. Berlin, DE

IRUG Spectral Database Info

S.chool.of Conservation,. Det Kongelige Danske. Kunstakademi, Copenha2en, DK

Straus-Conservation Center-.(Fogg), ,.-laward Vniversity ArtMuseums, Cambridge, US

I n t ~ G a l l e r v . London. UK University of- Florence, Fir.enze,,,lT

Uo.iv.ers~ty-of_lc.e~and,_Reykja~ik,.15 Uniuersity .sf. Kelaniya, D.epartmen.LolFineArts, Kelaniya,. LI(

Victo-ria and .Albert, Museum,-5-outh Kensingtoa , UK Williamstown Art Conservation Center. Williamstown. IlS

Winterthur Museum, Garden-and Library, Wilmington, US

North Fr South America Eut'ope Africa, Asia, A~lstralia

Beth Price Boris Pretzel Janice Carlson Philadelphia Museum of Art Victoria & Albert Museum PhiladeIphia Museum of Art Tel: +I 21 5 684 7552 +44 (0)20 7942 21 16 Tel: +I 302 239 21 58 Fax: +1 21 5 684 7550 +44 (0)20 7942 2092 Fax: +1 21 5 684 7550 emai 1: bp~e.@philam.us,e.umrnmo~g email: b~ApreIzeJEvam..ac,uk email: jacarlsonl @comcast..net

IRUG Spectral Database Info

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JCAMP-DX Spectral File Format for Submissions t o the Infrared & Raman Users Group (IRUG) Database

Boris Pretzel, Victoria & Albert Museum Beth Price, Philadelphia Museum of Art Janice Carlson, Winterthur Museum, Garden & Library

Abstract (Updated 25 February 2002)

This paper presents guideiines for the submission of spectra in the JCAMP-DX format to the ]RUG (Infrared and Raman Users Group) Database. JCAMP-DX was chosen as the file format as it i s platform independent and will allow error- free transfer of spectral information between various instruments and users. lRUG will use the JCAMP-DX files as the principal source of information for submitted spectra. ALL information pertaining to the sample and spectrum (as outlined on the IRUG Spectrum Submission Form) i s incorporated into the JCAMP-DX file in a consistent format to create a complete data record. This format, consisting of both JCAMP-DX 4.24 and user (IRUG) defined labelled data- records (LDRs), is described. The LDRs for IRUG have been kept to a minimum to facilitate automatic transfer of the information when the IRUG JCAMP-DX files are imported into the users' infrared software packages.

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2. Background: the JCAMP-DX Format for IRUG Submissions

The IRUG Spectrum Submission Form and Numerical Key (pages 6 and 7) list the information to accompany spectra submitted to the IRUG database. Acronyms for institutions are listed in Institution Acronym Key (pages 16 and 17). Most of this information is not automatically inserted into a native (proprietary) spectral file when it is acquired using commercial instrument IR software. To insert / restore the missing information, the user must manually edit the JCAMP-DX file after it has been created.

Format and Content A JCAMP-DX file consists of a series of linked labelled-data records (fields) known as LDRs. Each LDR is one or more lines in an ASCII file beginning with a data label name (label) followed by corresponding information and data [I].

Column A of the IRUG Guidelines for JCAMP-DX Files (pages 8 - 13) lists the labels required by IRUG. There are two types of labels: JCAMP-DX 4.24 and IRUG. The JCAMP labels are recognized in a file by the prefix ## and are defined by JCAMP. Many are automatically inserted into the native file during conversion but must be edited when storing additional information from the IRUG submission form. ##TI-rLE= is an example of a JCAMP defined label. IRUG labels are denoted by the prefix ##$. These are known as "user" defined labels and were developed by IRUG to store information for which there is no pre-existing JCAMP label. Since IRUG labels are not automatically generated, these must be both inserted and edited by the user. There are a total of eight IRUG labels: ##$Material Source=, ##$Source Location=, #/$Sample Identifier=, ###$Colour=, ##$Age=, ##$Institution File Name=, ##$[RUG Material Class=, and ##$License=.

Column C of the Guidelines lists the corresponding informationldata required for each label as defined by JCAMP 121. These JCAMP requirements have been modified by IRUG and resulting IRUG definitions are listed in Column B. To simplify the creation of IRUG formatted JCAMP files, the General Format for lRUG Infrared JCAMP-DX Files and the General Formal for IRUG Raman JCAMP-DX Files, have been developed as user templates (pages 14 and 15) and examples of spectral files in the General Format are found on pages 18 to 20.

Order of LDRs For a JCAMP file to function properly, the first three LDRs must always be in the order of ##TITLE=, HJCAMP-DX=, ##DATA TYPE=. It is also necessary for the final LDR to be ##END=. The order of the remaining LDRs is not critical and various JCAMP converters may order the LDRs differently (compare examples on pages 18 to 20). For convenience, IKUG has grouped the LDRs as follows: compulsory (title, JCAMP version, data type), submitting institution details, instrument details, sampling details, sample details, additional IRUG sample details, and spectral information.

IRUG 2000, www.irug.org - Page 2 of 20 - BP, BP, JC

Characters per Line Limit Lines in the JCAMP file must not exceed a total of 80 characters (including the label). This ensures that lines are not truncated when data are imported and that the file will open properly. Where necessary, entries fbr labels (except the first label, ##TITLE=) can be split over multiple lines by continuing the entry on the next line (see page 19, Example 2B, ##SAMPLING PROCEDURE). Since 17 spaces in the first or title line are reserved for the label and IRUG file name, a maximum of 63 characters remain for file description.

Appearance and consistencv For consistency in appearance, the format for the title should be: the filename followed by a space, then the material name with an initial capital letter. The remaining entries on the title line should be lower case, except for proper names and the institution acronym, and should be separated by comas. To minimize compatibility issues between different spectral software, infrared files should be converted to absorbance. Apart from title entries, multiple data entries in a single field should be separated by semicolons.

Optional LDRs Some LDRs are optional; data for these labels may not be available or applicable (see page 19, Example 2B, MPATHLENGTH, ##PRESSURE, #TEMPERATURE, etc). If there is no information to enter, the square brackets enclosing generic text should remain as shown in the General Format for IRUG JCAMP-DX Files on pages 14 and j5)

Duplicate Information In some cases, information is entered in more than one LDR to satisfy the JCAMP definitions (see page 19, Example 28, #SAMPLE DESCRIPTION= and ##SAMPI-ING PROCEDURE=).

3. How to Edit the JCAMP-DX file

The general procedure for creating a complete IRUG formatted JCAMP-DX 4.34 file from a native infrared file is as follows:

1. Convert the native infrared file (Perkin Elmer, Nicolet, Analect, etc. format) in absorbance using a JCAMP converter (spectrometer manufacturer's software, GRAMS~~', or other software) to JCAMP-DX format.

2. Open the converted JCAMP-DX file in a text editor such as WordPad or Notepad. The converted file will resemble Examples 1A - 3A shown on pages 18 to 20.

3. Edit the JCAMP-DX file following the General Format for [RUG JCAMP-DX Files (page 14 or 15): Insert any missing JCAMP-DX labels and the eight IRUG defined labels (##$License=, ##$Institution File Name=, #$Material Source=, ###$Source

IRUG 2000, www.irug. org - Page 3 of 20 - BP, BP, JC

Location=, ##$Sample Identifier=, ##$Colour=, ##/$Age=, and ##$lRUG Material Class=) before M U N ITS=.

Insert the information listed on the IRUG Spectral Submission Form after the appropriate labels. Complete as many the LDR fields as possible. Be mindful of 80-character line limit; continue entries in excess of 80 characters on consecutive lines. The edited file should resemble Examples 1B - 38 shown pages 18 to 20.

4. Save the new JCAMP-DX file as an ASCII text file with the DX extension (NAME.DX). Check that the new file will open in your spectrometer's software.

5. CAUTION: do not overwrite the newly edited JCAMP-DX files with files from the original manufacturer's operating software (or JCAMP-DX converter software) as the changestadditions made in WordPad or Notepad will be overwritten and lost.

IRUG formatted Raman files are edited in a similar manner but the ordinate axis units should be relative intensity.

Editinq procedure surnmarv

I Native spectral file (in absorbance) I I,

yy. '" .. Convert with JCAMP converter

\',.-

JCAMP-DX formatted ASCII file

i: ".d-.

Open in text editor

T' ".' ".: '

Format following IRUG Guidelines Insert information from ]RUG Submission Form

Save as ASCll text file with .DX extension

v- - .

]RUG JCAMP-DX formatted ASCll file

IRUG 2000, www.irug.org - Page 4 of 20 - BP, BP, JC

4. Summary

A uniform, platform-independent format based on JCAMP-DX has been adopted for spectra submitted to the Infrared and Raman Users Group (IRUG) Database. The format uses combined JCAMP-DX 4.24 and IRUG defined labels for labelled-data- records (LDRs) that will accommodate the information requested for spectral submissions to the IRUG Database. The use of all labels, insofar as possible, will ensure that all pertinent information is contained within the JCAMP-DX file, creating a complete data record for each spectrum. The result is data of improved quality, and an IRUG Database that may be treated as a primary reference.

5. References

IRUG 2000, www.irug.org - Page 5 of 20 - BP, BP, JC

IRUG Spectrum Submission Form The information requested for submissions is listed below. Terms are defined on the Numerical Key on the next page. The Submission Form is also available on the IRUG web site: www.irug.org. If possible, provide the information in digital format.

IRUG File Name (0): (8 characters assigned by IRUG editors) Institution (1): Institutlon acronym (2): Address (3): Analyst (4): Telephone (5): Fax (6):

E-mail (7):

Data Description Raman Specific Data Institution file name (8) and dateltime of acqulsltion (9): Monochromator (35)

Fonnat (1 0): Source (36)

Sample Description Power (37)

Commonltrade name (1 1): Detector (36) Chemical name (12): Detector parameters (39)

Materlal class (13): Collecting lens (40) Physical state (14): Angle (41)

Form (15): Polarisation (42) Coiour/color (I 6): Filters (43)

Age (1 7):

Origin Materlal source (18): Source location (19): Sample identifier (20):

Instrument Parameters lnslrument i- software (21):

Spectral range (22): Resolution (23): Scans (24): Apodization (25): Instrument purge (26):

Technique Mode (27): Accessory (28): Sample support (29): Sample preparation (30):

Data process in^ Historv CO, correction (31): (C02: YIN) Baseline Correction (32): (baseline corr.: YIN) Other data processing (33)

Supplemental Analytical Data Other analytical methods (34): Additional Information (44 - 57):

IRUG 2000, www.irug.org

(purge: YIN)

(tranlrefllscat)

- Page 6 of 20 - BP, BP, JC

Numerical Key 0 IRUG filename: 8 character filename, beginning "I" for Infrared or "R" for Raman, followed by 2 letter IRUG materials class acronym, and a five digit No.

assigned and inserted by IRUG editing committee afler receipt of the file, e.g.. filename: lnrOO603.d~. 1 Oriainatina institution name: full name Rarnan Specific Data: 2 Oriqlnatlnq institution acronym: see institutior, acronym list 35 Monochromator: dispersive or interferometric 3 Address; full address of institution 36 Source: excitation source wavelength In nm 4 Analvst: name of analyst who acquired the spectrum 37 Power: power incident on sample, in mW 5 Telephone: contact telephone #of analyst +lor analytical lab +lor conservation dept., etc 38 Detector: detector type; CCD, PMT, PDA, etc. 6 Fax: contact fax # of analyst +lor analytical lab +lor conservation dept., etc 39 Detector parameters: integration time, number of accumulations 7 m: contact fax # of analyst +lor analytical lab +lor conservation dept., etc 40 Collectincl lens: magnification (eg 1OOx). numerical aperture 8 Institution filename: 8-character name for spectral file as assigned in origlnating institution 41 Anqle: collecting angle of scattered radiation, In degrees 9 Dateltime of acquisition: date + time spectrum was acquired 42 Polarisation: polarisation of excitation radiation 10 Format: JCAMP + version number 43 Filters: details of any Notch or interference filters, analyser, etc 11 Commonltrade name: e.g. gypsum, Paraloid 8-72 12 Chemical name: e.g. calcium sulfate dihydrate, poly(methy1 acrylate-ethyl methacrylate) copolymer 13 Material Class: organic: carbohydrate-gurnlsugar (CB), organic plgmenls and dyes (OD), natural resin (NR), oillfat (OF), protein (PR), synthetic resin (SR),

wax (WX); Inorganic: minerals, pigments. and corrosion product (MP), glass (GL); other: mixtures (MX), unclassified (UC) 14 Physical state: solid (s), Ilquld (I), gas (g) 15 m: chunk, emulsion, flake, fibrelfiber, paste, powder, sheet, etc 16 Color Icolour: colour of sample material 17 &: approximate age of material, aging history, if known 18 Material source: (of sample) manufacturer, supplier, collector, etc 19 Source location: country, region, state, cilyltown, site 20 Sample identifier. cataloglcatalogue #, C1 #, collection #, or any other unique institutional #, e.g. Forbes pigment #, Sigma cataloguelcatalog #, etc 21 Instrument + software: manufacturer, model, software version 22 Spectral range: e.g. 4000 - 650 cm-' 23 Resolution: (of spectrum as measured, not of JCAMP file) 4 or 8 cm-' minimum recommended 24 Scans: number of scans 25 Apodization: boxcar (B), HappGenzel (HG), Norton-Beer -weak, medium, strong (NB-w, rn, s). triangular (T), etc. 26 Instrument Durqe: Y or N 27 Mode: transmission (tran), reflectance (refl), scatter (scat - for Rarnan) 28 Accessory (ies): attenuated total reflectance [str), beam condenser (bc), diffuse reflectance (drift), fibreoptic (fo), grazing angle (ga), microscope (micr), spectral

reflectance (sr), etc 29 Sample support(s): AgCI, AgBr, BaF2. CaFz, CdTe, Csl, diamond. Ge. KBr, KRS5. NaCI. Nujol (nj), Si. Sic. ZnS. ZnSe, etc 30 Sample preparation: neat, CH2CI2 extract, sample ground with KBr, sample and KBr ground separately and mixed, etc 31 CO? correction: Y or N 32 Baseline correction: Y or N 33 Other data processinq details: spectral subtraction, transformations etc.

34 Analvtical methods. other (cross-reference): VLM, FLM. PLM. SEM. EDS, EPMA. XRF. AA. ICP. ICP-MS. GC, GC-MS, GC-IR. FT-Raman, RP-HPLC, PAGE, TLC, etc

44-Additional information: pathlength, crn (44). pressure (45). temperature "C (46), CAS name (47), molecular formula (48). CAS reg. No (495. Wiswesser line notation (50), Beilstein Lawson No (51), melting point, O C (52), boiling point. O C (53), refractive index (at 20°C for NaD) (54), density glcm (55), molecular weight (56). concentration (57), etc.

IRUG 2000, www.irug.org - Page 7 of 20 - BP, BP, JC

IRUG Guidelines for JCAMP-DX Files

(Superscripts lv2... refer to location of information on IRUG Sample Submission Form and Numerical ~ e ~ )

Labels IRUG

Definition of entries

JCAMP

Definition of entries

I#TlTLE=

WJCAMP-DX=

%DATA TYPE=

insert: IRUG filename "ornmon name ", material source1', sample identifier 20, institution acronym , mode 27

JCAMP version lo (4.24)

t#OWNER=

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##TITLE= should contain a concise description of the contents, suitable as a title for a data plot. ##TlTLE= is required as the first LDR of each JCAMP-DX FILE or BLOCK.

Required immediately after each ##TITLE= to show Version number of JCAMP-DX. Version of soflware which generates a JCAMP-DX file should be added as a comment afler the Version Number.

INFRARED SPECTRUM or RAMAN SPECTRUM

&$License=

#DATA TYPE= defines the data technique for the current JCAMP-DX BLOCK.

Submitting Institution Details

insert: originating institution name' OR COPYRIGHT O (year) by originating institution name '.

%ORIGIN=

Name of owner of proprietary data. The organization or person named under ##ORIGIN= is responsible for accuracy of this field. If the data are copyrighted, this line should read "COPYRIGHT O (year) by (name)." This information is not optional; the criginator of a JCAMP-DX

(Copyright statement is optional)

insert: By accepting this database user agrees to be bound by the terms of the IRUG user's license. Any reference writtenloral made to this file must include accreditation to BOTH the originating individualfinstitution and IRUG. Contributor agrees to be bound by the terms of the IRUG contributor's license.

file should always see that it is included. If ##OWNER= contains "PUBLIC DOMAIN", the implication is that the data may be copied without permission on the authority of whoever is names under ##ORIGIN=. Absence of ##OWNER= does not imply permission to copy.

IRUG defined data label - no JCAMP definition.

insert: originating institution name I ;

address 3; analyst's name telephone" fax6; e-mail

NB use abbreviations (Tel:, Fax:, Emall:) and leave missing data sections blank (e.g.: ... Victoria & Albert Museum, London SW7 ZRL, Tel:; Fax: +44 (0)207 ...)

Name of organization, address, telephone number, FAX number, E-mail address, name of individual contributor, etc., as appropriate. This information is not optional: the originator of a JCAMP-DX file should always see that it is included. The instrument manufacturer cannot be responsible for this information. NOTE: Omission of this information is not necessarily a valid reason for software to refuse to process a JCAMP-DX file, Under no circumstances should a file be retransmitted without this information.

[RUG 2000, www.irug.org - Page 9 of 20 - BP, BP, JC

A B C

Labels

Definition of entries Definition of entries

##$Institution File insert: originating Institution's file IRUG defined data label - no JCAMP definition. Name= name ' ##DATE= YY/MMIDDBdate of spectrum Date when data was measured, in the form: YYlMMlDD (note

acquisition order).

##TIME= HRlMlNlSEC time of spectrum Tlme when data was measured, in the form: HWMINISEC acquisition (24-hour clock).

Instrument Details

##SPECTROMETER/ DATA SYSTEM=

##INSTRUMENT PARAMETERS=

##RESOLUTION=

##DATA PROCESS lNG=

inself: instrument and softwarez1

For Raman, include: monochromator 35; detector 38

Insert: apodization 25; NO of scans 24;

instrument purge spectral range 22

For Raman, include: source 36;

power 37; detector parameters 3B

insert: resolution Z3 - of acquired spectrum (not of data in DX file)

insert: entries for C 0 2 correction 31;

baseline correction "; and any other data processing performed

This field contains manufacturer's name, model of the instrument, software system, and release number, as appropriate, in the form used by the manufacturer.

This optional field is a list of pertinent instrument settings using standard notation when available, otherwise using the notation of the manufacturer. Only settings which are essential for applications should be included.

Nominal resolution in units specified by ##XUNITS=, as a single number for spectra at constant resolution throughout, or as pairs of the form :Rl,Xl, ..., Rn,Xn, where R stands for Resolution at abscissa X.

Description of background correction, smoothing, subtraction, deconvolution procedures, apodization function, zero-fill, or other data pr~cessing, together with reference to original spectra used for subtractions.

##SAMPLE DESCRIPTION=

##SAMPLING PROCEDURE=

##PATH LENGTH=

##PRESSURE=

Sampling

insert modez7; accessoryz8; sample support 29

Raman, include: collecting lens4'; angel 41; polarisatton 42; filters 43

insert: mode 27; and sample preparation

inserf: pathlength ", where applicable

insert; pressure 45, where significantly different from atmospheric

Details

First entry in this field should be MODE of observation (transmission, specular reflection, PAS, matrix isolation, etc., for spectra, or column type, etc., for chromatograms, or ionization parameters, etc. for mass spectra, or appropriate information for any other techniques or applications. Name and model of appropriate accessories, cell thickness, and window material for fixed liquid cells, 1 TR plate material, angle and cone of incidence, and effective number of reflections for ATR measurements, polarization, and special modulation techniques, as discussed by Grasselli, Griffiths, and Hannah, Appl.Spectroscopy, 1982, 36, 87, etc., are appropriate for other types of measurement. (For V5.0, this information should be under ##APPLICATION=.)

First entry in this field should be MODE of observation (transmission, specular reflection). Use enough space to describe the procedure. Give a citation to a description of a standard procedure.

Path length in cm.

Sample pressure in appropriate units if significantly different from etmospheric.

J

1 I Definition of entries I Definition of entries I Labels

I

l#TEMPERATURE= ins%& temperature where I

l ~ a r n ~ l e temperature in degrees C if significantly different from significantly different from room room temperature. temperature

IRUG JCAMP

I I

Sample Details

1- ###NAMES= insert: comrnonltrade name ", chemical name '' eetc. Multiple names placed on separate lines

Name according to Chemical Abstracts naming conventions as described in Appendix 1V of the 1985 CAS Index Guide. Examples can be found in Chemical Abstracts indices or the Merck Index. Greek Letters are spelled out, and standard ASCII capitals are used for small capitals. SuplSuperscripts are indicated by prefixes I and A , respectively. Example, alpha-D-glucopyranose, I-(dihydrogen phosphate).

MCAS NAME=

Common, trade, or other names. Multiple names are placed on separate lines.

##MOLFORM=

WCAS REGISTRY No=

l RUG 2000, www.irug. org

insert CAS name ", where available

#WISWESSER=

BP, BP, JC

insert: molecular formula 48, where available

insert: CAS registry number 49, where available

Molecular formula. Elemental symbols are arranged with carbon first, followed by hydrogen, and then remaining element symbols in alphabetic order. The first letter of each elemental symbol is capitalised. The second letter, if required, is in lower case. One-letter symbols must be separated from adjacent symbols by a blank or digit. Sublsuper scripts are terminated by the next non-digit. Slash may be omitted for subscripts. For readability, each atomic symbol may be separated from its predecessor by a space. For substances which are represented by dot-disconnected formulas (hydrates, etc.), each fragment is represented in the above order, and the dot is represented by '. Isotopic mass is specified by a leading superscript. D and T may be used for deuterium and tritium, respectively. Examples: C2H402 or C2 H4 02 (Acetic acid) C6 H9 Cr 0 6 H2 0 (Chromic acetate monohydrate) H2A170 (water, mass 17 oxygen)

CAS Registry Numbers for many compounds can be found in Chemical Abstracts indices, Merck Index, or CAS ON-LINE.

insen': Wiswesser line notation 50,

where available The Wiswesser line notation is a precise and concise means of expressing structural formulas as character strings. The basic idea is to use letter symbols to denote functional groups and numbers to express the lengths of chains and the sizes of rings. Wiswesser notation is described I detail by Smith, "The Wiswesser-Line Formula Chemical Notationt', McGraw-Hill, New York, 1968), 2nd Ed; and Chemical Information Management, Inc., 3rd Ed, 1975.

IRUG 2000, www.irug.org - Page I I of 20 - BP, BP, JC

A

Labels

##BEILSTEIN LAWSON No=

##MI?=

##BP=

##REFRACTIVE INDEX=

##DENSITY=

#MW=

##CONCENTRATIONS=

##STATE=

##CROSS REFERENCE=

##$Material Source

I3

IRUG

Definition of entries

insert: Beilstein Lawson Number "', where available

insert melting point '*, where available

insert boiling point 53, where available

inserf: refractive index 54, where available

insert: density 55, where available

insert: molecular weight 56, where available

insert: concentration ",where available. Include known impurities

insert: physical state l4 and form " (For IRUG, sample prep is under ##Sampling Procedure)

insert: all supp[ementallother analytical methods "

AddiBonal IRUG

insert: material source ''

C

JCAMP

Definition of entries

The Beilstein Lawson Number is a structural formula clustering code based on the Beilstein System. It ls used for locating information in Beilstein databases, including the STN on-line database. The code contains only structural information and can be generated locally on microcomputers from connection table data alone. A simple description of the algorithm has be published by Lawson, "Structure Graphics" in Pointers to Beilstein Out, ACS Symposium 341, Graphics for Chemical Structures - Integration of Text and Data, 1987, pp 80-87.

Melting Point in degrees C.

Boiling Point in degrees C followed by pressure in mm Hg if other than one atmosphere.

In the form: ND = 1542"20 (index at 20 degrees C for NaD line).

Density in glcc.

Molecular weight.

List of known components and impurities and their concentrations in the following form, where N stands for name (enclosed In angle brackets if more than one word); C, for concentration; and U, for units of concentration: EXAMPLE: ##CONCENTRATIONS= (NCU)

(N1, Cl, UI), (N2, C2, U2), etc.

The group for each component is enclosed in parentheses. Each group starts a new line and may continue on the following lines.

Solid, liquid, gas, solution, KBr pellet, powder, nujol mull, etc.

Cross references refer to additional data on the same sample, i.e., different thickness, mulling agent, polarisation, temperature, time, etc., or serve to link a peak table or interferograrn with a spectnrm, etc.

sample details

IRUG defined data label - no JCAMP definition.

##.$Source location

##$Sample Identifier

##$Colour=

insert: source location l 9

insert: sample identifier

insert: color/colour

IRUG defined data tabel -no JCAMP definition.

IRUG defined data label - no JCAMP definition.

IRUG defined data label -no JCAMP definition.

[RUG 2000, www.irug.org -Page 12of20- BP, BP, JC

C

JCAMP

Definition of entries

IRUG defined data label - no JCAMP definition.

IRUG defined data [abel - no JCAMP definition.

Comments may be introduced by a DATA-LABEL-FLAG (W) plus a DATA-LABEL-TERMINATOR (=), with null DATA- LABEL-NAME. Such comments may continue for more than one line, terminating at the next DATA-LABEL-FLAG. Sub-headings (not JCAMP-DX Labels) may be used within such comments at the discretion of the end-user. As many such comments as needed may be included between ##TITLE= and ##END=.

A

Labels

##$Age=

##$IRUG Material Class=

##=

B

IRUG

Definition of entries

inserf: age "

insert: materials class13

insert: any additional information

Information

This LDR gives the nominal spacing between points for informing the user. Actual X-values should be calculated from (###FtASTX= minus #FI RSTX=)I(##NPOINTS= - I).

##XUNITS= gives the abscissa units for the current DATA TYPE. Any standard unit is acceptable. For infrared spectra, the following units are appropriate: IICM (representing wavenumber), MICROMETERS, NANOMETERS, SECONDS, ARBITRARY UNITS

Gives the ordinate units for the current DATA TYPE. Any standard units are acceptable. For infrared spectra, the following units are appropriate: TRANSMITTANCE, REFLECTANCE, ABSORBANCE, KUBELKA-MONK, ARBITRARY UNITS

##XFACTOR= and MYFACTOR= ,respectively, are fackors by which components of tabulated abscissa and ordinate values should be multiplied to obtain actual values. For ASCII representation, these factors should be chosen to convert tabulated values to integers, clipping off all but about 1 digit of noise on the average.

##FIRSTX= and ##LASTX= are the first and last ACTUAL abscissa values for current DATA TYPE, as appropriate. First tabulated abscissa time ##XFACTOR= should equal ##FIRSTX=. Spectral data are tabulated in order of EITHER increasing or decreasing abscissa values. ##FIRSTX= specifies the abscissa corresponding to the first value listed under the current DATA TYPE, not the smallest abscissa.

##NPOINTS= is the number of components of a ##DATACLASS= like #XYDATA=.

##DELTAX=

##XUNlTS=

WYUNITS=

WXFACTOR=

M Y FACTOR=

##FIRSTX=

##LASTX=

WNPOINTS=

Spectral

Automatically inserted by commercial software converter

Automatically inserted by commercial software converter, l lcm preferred

Automatically inserted by commercial soflware converter: absorbance I transmittance /arbitrary units ... For maximum compatibility, IR spectra for submission to IRUG should be in ABSORBANCE. For Raman, thls should be RELATIVE INTENSITY.

Automatically inserted by commercial soflware converter

Automatically inserted by commercial soflware converter

Automatically inserted by commercial sofiware converter

Automatically inserted by commercial software converter

Automatically inserled by commercial software converter

Labels IRUG

Definition of entries

JCAMP

Definition of entries

WF I RSTY=

#MAXY= #MAXX=

#MINY= #MINX=

IRUG 2000, www.irug.org

#XY DATA=

#End=

- Page 13 of 20-

Automatically inserted by commercial software converter

Automatically inserted by commercial software converter

Automatically inserted by commercial software converter

BP, BP, JC

##FIRSTY= is the actual Y-value corresponding to ##FIRSTX=. ##FIRSTY= should equal ##YFACTOR= times the first Y-value in the current #DATACLASS=. NOTE: If the ordinate value corresponding to ##FIRSTX= is undefined, i.e., represented by 7, then ##FIRSTY= also is represented by 7. This is the reason for recommending the different way of checking data scaling which is outlined under ##MAXX=, etc.

These attributes of the data array were listed as OPTIONAL in V4.24. It is currently recommended that ##MAXY= and ##MINY= be required for #XYDATA=. It is now recommended that the difference ##MAXY= minus ##MI NY= be compared to the difference between converted values to check Ordinate scaling rather than comparing ktftFIRSTY= to the product of MYFACTOR= and the first converted ordinate as recommended in V4.24. See NOTE under ##FIRSTY=

Automatically inseried by commercial software converter

Automatically inserted by commercial software converter, data ...

M Y D A T A = is the heading for a data array which consists of a list or ordinates at equal X-intervals, as specified by the following Data Labels: #$XUNITS=, ##YUNITS=, ##XFACTOR=, MYFACTOR=, ##FIRSTX=, ##LASTX=, ##MAXY=, ##MINY=, MNPOINTS=, ##FIRSTY=. The tabular form of the ##XYDATA= is a series of lines organized as follows: X I Y1 Y2 Y3 Y4 Y5 ... YN. This form of data is represented symbolically by a VARIABLE LIST, as follows: WXY DATA= (X++(Y. .Y)), -where X++ indicates that the first item in a line is an X-value, ++ indicates that X is incremented for each following Y-vaiue and (Y..Y) indicates that the initial X-value is followed by a succession of Y-values

#END= indicates the end of a JCAMP-DX FILE or BLOCK. There must be one ##END= for each ##TITLE= in a COMPOUND JCAMP-DX file.

General Format for IRUG Infrared JCAMP-DX Files (Numbers in brackets refer to location of the information on the IRUG Sample Submission Form and Numerical Key)

##TITLE=[IRUG filename (O)] [Commonltrade name (1 I)], [sample source [19)], [sample identifier (20)], [INSTITUTION ACRONYM (2)], [mode (27)] MICAMP-DX=4.24 ##DATA TYPE=INFRARED SPECTRUM ##ORIGIN=[originating institution (l)]; [address (3)j; [analyst (4)]; tel: [telephone (5)l; fax: [fax (6)]; email: [e-mail (7)l ##OWNER=COPYRIGHT O [year] by [institution name (1) or acronym (2)] ##$LICENSE=By accepting this database user agrees to be bound by the terms of the IRUG useh license. Any reference writtentoral made to this file must include accreditation to BOTH the onglnating individuallinstitution and IRUG. Contributor agrees to be bound by the terms of the IRUG contributor's license. ##$INSTITUTION FILE NAME=[institution filename (a)] ##DATE=[dateltime of acquisition (9)] WTlME=[dateltime of acquisition (9)] WSPECTROMETEWDATA SYSTEM=[instrument and software (Zl)] ##INSTRUMENT PARAMEfERS= apodtzation: Iapodlzation (25)]; scans: [No of scans (24)l: purge: [instrument purge YIN (26)l; range: [spectral range (22)] WRESOLUTION=~resolution (23)] ##DATA PROCESSING= C02 corr.: [C02 correction YIN (31)]; baseline corr.: [baseline correction YIN (32)l; [other data processing (33)j; further data processing information may automatically be insertod by JCAMP converter ##SAMPLE DESCRIPTION= [mode (27)l; accessories: [accessory (28)]; support: [sample support (29)] WSAMPLING PROCEDURE=[mode (27)l; prep: [sample preparation (30)] WPATHLENGTH=[pathIength ( a ) ] ##PRESSURE=[pressure (45)] ##TEMPERATURE=[temperature (46)] MCAS NAME=[CAS name (47)] ##NAMES=[commonttrade name (1 I ) ] [chemical name (IZ)] ##MOLFORM=[molecular formula (48)] ##CAS REGISTRY NUMBER=[CAS registry number (49)] ##WlSWESSER=[Wiswesser line notation (50)] ##BEILSTEIN LAWSON No=[Beiistein Lawson number (51)] ##MP=[melting point (52)j #BP=[boling point (53)] ##REFRACTIVE INDEX=[refractive index (54)] ##DENSIN=[density (55)] ##!MW=[molecular weight (56)] ##CONCENTRATlONS=[concentrat[ons (57)] ##STATE=[physical state (14)l; [form (15)] ##CROSS REFERENCE=[other analytical methods (34)] ##$MATERIAL SOURCE=[source of sample(1 8)J #$SOURCE LOCATION=[source location (19)] ##$SAMPLE IDENTIFlER=[sarnple identifier (20)] ##$COLOUR=[color/colour ;16)] W$AGE=[age (I 7)] ##$IRUG MATERIALS CLASS=[material class (13)] ##DELTAX=[automaticaily inserted] ##XUNITS=[automatically inserted] WYUNITS=Iautomatically inserted] ##FIRSTX=[automaticaHy inserted] ###LASTX=[automaticaIly inserted] ##FIRSTY=[automatically inserted] ##MAXX=[automatically inserted] ##MINX=[automatically inserted] ##MAXY=[automaticaIly inserted] ##MINY=[automaticaHy inserted] ft#XFACTOR=[autornatically inserted] ##YFACTOR=[automatically inserted] f#ENPOINTS=jautornatically Inserted] ##XYDATA=[automaticaIiy inserted] 624.823 ...... ##!END=lautornatically inserted]

IRUG 2000, www.irug.org - Page 14 of 20 - BP, BP, JC

General Format for IRUG Raman JCAMP-DX Files (Numbers in brackets refer to location of the information on the IRUG Sample Submission Form and Numerical Key)

WTITLE=[IRUG filename (O)] [Commonltrade name (1 I)], [sample source (19)], [sample identifier (ZO)], [INSTITUTION ACRONYM (2)], scat (27) ##JCAMP-DX4.24 ##DATA TYPE=RAMAN SPECTRUM ##ORIGIN=[originating institution (I)]; [address (3)]; [analyst (4)]; tel: [telephone (5)]; fax: [fax (6 ) ] ; email: [e-mail (7)] ##OWNER=COPYRIGHT O [year] by [institution name (1) or acronym (2)] ##$LICENSE=By accepting thls database user agrees to be bound by the terms of the IRUG user's license. Any reference wlttenloral made to this file must include accreditation to BOTH the originating individuallinstitution and IRUG. Contributor agrees to be bound by the terms of the [RUG contrlbutor's license. #$INSTITUTION FILE NAME=[institution filename (a)] ##DATE=[dateltime of acqulslUon (9)] WlME=[datelllrne of acquisition (9)] ##SPECTROMETERIDATA SYSf EM=[instrument and software (21)l: monochromator: [dispersive I interferometric monochromator (3511; detector: [detector type (38)] ##!INSTRUMENT PARAMETERS= apodization: [apodization (25)l; scans: [No of scans (24)l; purge: [instrument purge YIN (26)l; range: [spectral range (22)l; source: [source (36)l; power: [power (3711; detector parameters: [detector parameters (39)] ?WRESOLUTION=[resolution (23)] ##DATA PROCESSING= C02 corr.: IC02 correction YIN (31)]; baseline corr.: [baseline correction YIN (32)j; [other data processing (33)l; further data processing information may automatically be inserted by JCAMP converter #SAMPLE DESCRIPTION= scat; accessories: [accessory (28)]; support: [sample support (29)l; objective: [collecting lens (40)l; angle: [angle (41)l; polarisation: [poiarisation (42)l; filters: [filters (43)j ##SAMPLING PROCEDURE=scat; prep: [sample preparation (30)] ##PATHLENGTH=[pathlength (44)] ##PRESSURE=[pressure (45)] ##TEMPERATURE=[temperature (46)] ##CAS NAME=[CAS name (47)j ##NAMES=[common/trade name (1 I ) ] [chemical name (IZ)] ##MOLFORM=[rnolecular formula (48)] WCAS REGISTRY NUMBER=[CAS registry number (49)] ##WISWESSER=piswesser line notation (50)] WBEILSTEIN LAWSON No=IBeilstein Lawson number (51)] ##MP=[melting point (52)] ##BP=[boling point (53)] #REFRACTIVE INDEX=[refractive index (54)] ##DENSITY=[density (55)j WMW=[molecular weight (56)] WCONCENTRATIONS=[concentrations (57)] WSTATE=[physical state (14)l; [form (15)] WCROSS REFERENCE=[other analytical methods (34)] ##$MATERIAL SOURCE=[source! of sample(l8)l ##$SOURCE LOCATION=[source location (19)] ##$SAMPLE IDENTIFIER=[sample identifier (20)] #-#$COLOUR=[color/colour (16)] ##$AGE=[age (17)] ##$iRUG MATERIALS CLASS=[material class (1311 ##DELTAX=[autornaticaIly inserted] ##XUNITS=IautomaticaIly inserted] ##YUNITS=Relative intensity ##FIRSTX=[automaticaI[y inserted] ##LASTX=[autornatically inserted] ##!FIRSTY=[automaticaIly inserted] m a ,

... WXFACTOR=[autornaticaIly inserted] WYFACTOR=[automatically Inserted] ##NPOINTS=~automaticaily inserted] ##XYDATA=[autornaticaIiy inserted] 624.823 ...... f#tEND=~automatlcatly inserted]

[RUG 2000, www.irug.org - Page 15 of 20 - BP, BP, JC

Institution Acronym Key for Database Contributors as of July 2000

IRUG 2000, www.irug.org -Page 16 of20- BP, BP, JC

ADSL

AFA-V

AIC

AMNH

BM

BSU

CCI

CIA

COA-CNR

CU

deYNG

FAU K

FG A

FU

GACC

GCI

H KI

HNM

IROE-CNR

LMU

MASCA

McC

MFA-B

MMA

MNRS

MOMA

MU

NARA '

NG

Archaeological Department, Colombo, Sri Lanka, LK

Academy of Fine Arts, Institute of Chemistry, Vienna, AU

Art Institute of Chicago, Chicago, IL, US

American Museum of Natural History, New York, NY, US

British Museum, London, GB

Ball State University, Muncie, IN, US

Canadian Conservation Institute, Ottawa, CA

Courtauld Institute of Art, University of London, GB

Centro Opere D'Arte, Consiglio Nazionale delle Ricerche, Firenze, IT

Cardiff University, School of History and ArchaeoLogy, Cardiff, Wales, GB

M.H. De Young Museum, San Francisco, CA, US

Department of Fine Arts, University of Kelaniya, Kelaniya, Sri Lanka, LK

Freer Gallery of Art, Smithsonian Institution, Washington, DC, US

CECOR - Escola de Bela Artes, Federal University of Minas Gerais, BR

Garbar A1-t Conservation Center (Russian Scientific Conservation Center named after Grabar), Moscow, RU

Getty Conservation Institute, Los Angeles, CA, US

Hamilton Kerr Institute, Cambridge, GB

Hungarian National Museum, Budapest, HU

lnstituto di Ricerca Sulle Onde Elettromagnetiche, Consiglio Nazionale delle Ricerche, Firenze, IT

Loyola Marymount University, Los Angeles, CA, US

Museum Applied Science Centei for Archaeology, University of Pennsylvania, Philadelphia, PA, US

McCrone Research Institute, Chicago, IL, US

Museum of Fine Arts Boston, Boston, MA, US

Metropolitan Museum of Art, New York, NY, US

Museo Nacional Reina Sofia, Madrid, ES

Museum of Modem Art, New York, NY, US

Miami University, Oxford, OH, US

National Archives and Records Administration, Washington, DC, US

National Gallery, London, GB

- Page 17 of 20 -

NGA

NMGM

NMWA

NSC

OADC

PMA

RFL

SC

SCC

TG

U F

U 1

UM

V A

WACC

WM

BP, BP, JC

National Gallery of Art, Washington, DC, US

National Museums and Galleries on Merseyside, Liverpool, GB

National Museum of Western Art, Tokyo, JP

National School of Conservation, Mexico City, MX

Ormylia Art Diagnosis Centre, Ormylia, GR

Philadelphia Museum of Art, Philadelphia, PA, US

Rathgen -Forschungslabor, Staatliche Museen PreuBischer Kulturbesitr, Berlin, DE

School of Conservation, Det Kongelige Danske Kunstakaderni, Copenhagen, DK

Straus Conservation Center (Fogg), Harvard University Art Museums, Cambridge, MA, US

Tate Gallery, London, GB

University of Florence, Firenze, IT

University of Iceland, Reykjavik, IS

Micro-analytical Research Centre, School of Physics, University of Melbourne, VIC 3010, AU

Victoria and Albert Museum, London, GB

Williamstown Art Conservation Center, Witliamstown MA, US

Winterthur Museum, Garden and Library, Winterthur, DE, US

##TITLE=PMAIZ037 SEEDLAC NO. 4858 AF SUTER B CO LTD WJCAMP-DX=4.24 $$ Nlcoiet v. 410 ##DATA 'PIPE=INFRARED SPECTRUM MORIGIN=PMA Conservation Dept. ##OWNER=Nimlel ##DATE=98106130 WIME=13:45:06 ##DATA PROCESSING= Ratio against background 4bTransmltlance->Absorbance Sfralghl Line generafe Truncated ##XUNITS=I/CM ##YUNITS=ABSORBANCE #FIRSTX=624.823181 #LASTX=3999.639893 ##FIRSTY=0.029192 ##MAM=3999.639893 ##MINX=624.023181 ##MAXY=O.981087 ##MINY=-0.001622 #HXFACTOR=1.000000 ##YFACTOR=I .000000E-009 ##NPO[NTS=1751 ##DELTAX=I .928467 ##XYDATA=(Xc+(Y..Y]) 624.823 ... ...

Example 1A JCAMP-DX file as generated by Nicolet converter.

##TiTLE=INR00610 Seedlac. AF Suter. #4858, PMA, tran ##JCAMP-DX=4.24 $$ Ntwlet v. 410 #DATA TYPE=INFRARED SPECTRUM ##ORIGIN=Philadalphia Museum of Art; Box 7646. Philadelphia, PA 19101, USA; Beth Price; tel:+l 215 684 7552; fax: + I 215 684 7550; email: bpn'ce@phllamuseum.org ##OWNER=COPYRIGHT O 98 by Phlladelphia Museum of Art, Cons Dept Analyllcal Lab ##$LICENSE=By accepting this database user agrees to be bound by Ule terms of b e IRUG user's license. ... ##$INSTITUTION FILE NAME=PMAi2037 ##DATE=98106/30

Example 1B Same JCAMP-DX file edited to meet IRUG guidelines.

##TIME=I 3:45:06 ##SPECTROMETER/DATA SYSTEM=Nlcolet 510P bench wl NIC-Plan micr; OMNIC v2.1 ##INSTRUMENT PARAMETERS=apodization: HG; scans: 200: purge: dry air; range: 4000 -625 cm-1 ##RESOLUTION=4 cm-1 ##DATA PROCESSING=COZ corr.:Y; baseline corr.:Y; Mulliplied by a scalar. Converted from OMNIC, Ratio against background, Straight Line gen.. Truncated ##SAMPLE DESCRIPTION=tran; accessories: rnicr; support: dla ##SAMPLING PROCEDURE=tran; prep: scraping ##PATHLENGTH=Ipathlengfh (44)] WPRESSURE=[pressure (45)] #TEMPERATURE=[ternperature (46)] WCAS NAME=[CAS name (47)] ##NAMES=seedlac [chemical name (IZ)] ##MOLFORM=[molecular formula (48)] MCAS REGISTRY NUMBER=[CAS registry No (49)j ##WISWESSER=[Wlswesser line notation (SO)] MBEILSTEIN LAWSON No=[Beilsleln Lawson No (51)J ##MP=[rnelfing ponl(52)l ##BP=[bolling point (53)] ##REFRACTIVE INDEX=[refractive index (54)] ##DENStTY=[dansily (55)] fF#MW=[molecular weight (56)] MCONCENTRATIONS=[concentration (57)] ##STATE=solid; bulk #$CROSS REFERENCEGC-MS ##SMATERIAL SOURCE=AF Suter & Co. Lld ##$SOURCE LOCATION=London, England, UK #$$SAMPLE IDENTIF IER=AF Suter Ma58 ##$COLOR=orange-brown ##SAGE=unknown. purchased 1996 ##$lRUG MATERIALS CLASS=NR ##XUNITS=l/CM ##YUNITS=ABSORBANCE MFIRSTX=624 823181 ?4LASTX=3999 639893

IRUG 2000. www.irug.org - Page 18 of 20- BP. BP, JC

Example 2A

JCAMP-DX file as generated by Perkin-Elmer converter.

#TITLE= Cellulose nltrate by Sic. Millipore SC Bmlcron. OLM WJCAMP-DX= 4.24 ##DATA TYPE= INFRARED SPECTRUM #ORIGtN= Exporled PE Spectrum Data File ##OWNER= ##DATE= 94/05/04 H#TIME= 14:31:19.00 #SPECTROMETEWDATA SYSTEM= PERKIN-ELMER Not Specifled IR ##INSTRUMENT PARAMETERS=

APODIZATION=Not Specified DETECTOR=Nol Specilied

#URESOLUTION= 1.000000 WDELTAX= -1.000000 #XUNITS= l lCM ##YUNITS= TRANSMITTANCE ##XFACIOR= 1.00 ##YFACTOR= 0.00000023841 85791 0156 MFIRSTX= 4000.00 #LASIX= 400.00 ##NPOINTS= 3601 ##FIRSTY= 55.46 #MAXY= 9.209990 ##MINY= 163.83 WXYDATA= (X++(Y..Y)) 4000.000000 687173699 687173699 ... ...

##END=

Example 2B Same JCAMP-DX file edited to meet IRUG guidelines.

##TITLE-lSR05000 Cellulose nltrate, VA, refi WJCAMP-DX= 4.24 ##DATA TYPE= INFRARED SPECTRUM ##ORIGIN= Vlcloria B Albert Museum: Soulh Kensingion; GB London SW7 2RL; Boris Pretzel; tai:*44 (0)20 7942 21 16; fax:+44 (0)20 942 2092; emait: boris.prehel@vam.ac.uk ##OWNER=COPYRIGHT O 1989 by Victoria i3 Albert Museum M$LICENSE=By accepting lhis database user agrees lo be bound by the terms of the IRUG user's Ilcense. Any reference ... ##SINSTITUTION FILE NAME=DR0008 ##DATE=89/05/04 ##TlME=I 3:45:06 ##SPECTROMETERIDATA SYSTEM= PERKIN-ELMER 1730 ##INSTRUMENT PARAMETERS=apodizaUon: NB(weak); scans: 250; purge: N; range: 4000-400 ##RESOLUTION=B cm-I ##DATA PROCESSING=C02 corr.: N; basellne wrr: N ##SAMPLE DESCRIPTION= refl; accessorles: drift. Barnes Diffuse Reflectance; support: sic ##SAMPLING PROCEDURE= refl; prep: surlace sampled wifh Millipore Sic 8 microns. Direct from Sic, ratioed to blank SIC (background) ##PATHLENGTH=[pathlenglh (441 #PRESSURE=[pressure (45)] ##TEMPERATURE=[femperature (46)] WCAS NAME=[CAS name (47)] ##NAMES= cellulose nitrate [chemical name ( IZ ) ] #MOLFORM=(C6H1005)x(ON02)y ##CAS REGISTRY NUMBER=[CAS registry No (49)l ##WISWESSER=~iswesser llne notation (SO)] ##BEILSTEIN LAWSON No=[Bellslein Lawson No (51)] X#MP=[malHng ponl (52)] ##BP=[bolling polnt (53)] ##REFRACTIVE lNDEX=[refraclfve index (54)j ##DENSlW=[densily (55)] ##MW=[molecular weight (56)] ##CONCENTRATIONS=lconcentration (57)] #STATE=solid: FILM ##CROSS REFERENCEsGC-MS ##$MATERIAL SOURCE=British Museum ##$SOURCE L0CATl0N=Lond~n WC1 B 3DG. England. UK ##$SAMPLE IDENTIFIER= ##$COLOUR=transparent #LW$AGE=50 years ##SIRUG MATERIALS CLASS=SR #DELTAX= -1.000000 ... ,.,

%END=

IRUG 2000, www.irug.o~ - Page 19 of 20 - BP, BP, JC

I JCAMP-DX file as generated by Analect converter. I Same JCAMP-DX file edited to meet IRUG guidelines. I Example 3A

##TITLE=Yellow refined beeswax , Ross Wax Co. ##JCAMP-DXz4.24 #DATA MPE=INFRARED SPECTRUM X#ORIG1N=.Wlnlerlhur MOWNER=Winterthur ##SAMPLING DESCRIPTlON=Winterthur Museum Analytical Laboratory ##SpectmmeterlData System=Analect tnslruments. Analect DS-20 MRESOLUTION=4.0 ##DATE=97107/09 ##TIME=10:18:30 ##XUNITS=lICM ##YUNITS=ABSORBANCE ~F1RSTX=4400.762 ##LASTX=698.01 K#FIRSTY=O.I 153 ##XFACTOR=l .0000DO ##Y FACTOR=0.000091553 ##NPOINTS=2075 ##DELTAX=1.92846702 ##XYDATA=(X++(Y..Y)) 4400.762 1356337920 ......

Example 36

##TlTLE=IWX05000 Beeswax, refined, yellow, Ross Wax. WM. tran fM'JCAMP-DXc4.24 ##DATA TYPE=INFRARED SPECTRUM ##ORIGIN=Wlnlerthur Museum: Winterthur, DE 19735. USA; Janice Carlson; tel: +1 302 888 4732; fax: +1 302 888 4838; emall: jcarls@wlnterthur.org ##OWNER=COPYRIGHTO 97 by Winlerthur Museum ##SLICENSE=By accepting this database user agrees to be bound by Ihe terms of the IRUG usets Ilcense. Any reference ... ##$INSTITUTION FILE NAME=WMwaxl #DATE=97/0709 ##TIME=10:18:30 WSPECTROMETERIDATA SYSTEM=Analect RFX-65 bench wilh XAD microscope; 06-20 ##INSTRUMENT PARAMETERS=apodlzatlon: HG: scans: 200; purge: Y dry alr; range: 4400-700 ##RESOLUTION=4 cm-1 ##DATA PROCESSING=CO2 corr. N; baseline corr: N; converted from Analect ##SAMPLE DESCRIPTION=tran: accessories: micr; support: dia ##SAMPLING PROCEDURE=tran; prep: scraping #PATHLENGTH=[palhlength (441 ##PRESSURE=[pressure (45)] #TEMPERATURE=[ternperature (46)] WCAS NAME=[CAS name (47)] ##NAMES=beeswax, yellow r~f lned [chemical name (12)] ##MOLFORM=[rnolecular formula (48)] ##CAS REGISTRY NUMBER=[CAS registry No (49)] ##WISWESSER=[Wiswesser line nolatlon (5011 ##BEILSTEIN LAWSON No=[Beilslein Lawson No (51)) #MP=lmelting ponf (52)] #BP=[bolling point (53)] ##REFRACTIVE INDEX=[refractie Index (54)] #DENSIlY=[denslty (55)] ##MW=[rnoiecular weight (56)] WtCONCENTRATIONS=[concentration (57)] ##STATE=solld: bulk ##CROSS REFERENCE=[addlllonaI information (3311 #$MATERIAL SOURCE=Ross Wax Co. ##$SOURCE LOCATION=New York. USA ##$SAMPLE IDENTIFIER=unknown ##$COLOUR=yellow, pale ##$AGE=unknown Mf#$IRUG MATERIALS CLASS=WX

IRUG 2000, www.img.org - Page 20 of 20 - BP, BP, JC

IRUG Feedback

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I Contributing Institutions I Support I

aw Commiue a - - I Judy Bischoff, National Park Service, Harpers Ftr I y', W, US

r Janice Carlson, Winterthur Museum, Gardens and Library, Winterthur, DE, US

r Janet Douglas, Freer Gallery of Art, Srnithsonian Institution, Washington, DC, US

r Kate Duffy, Williamstown Art conservation Center, Williamstown, MA, US

Kate Helwig, Canadian Conservation Institute, Ottawa, CA

Herant Khanjian, Getty Conservation lnstitute, Los Angeles, CA, US

Susan Lake, Hirshhorn Museum and Sculpture Garden, Srnithsonian Institution, Washington, DC, US

Suzanne Quitlen Lornax, National Gallery of Art, Washington, DC, US

Mitura Mimura, Nara Cultural Research Institute, Nara, JP

Jennifer Mass, Winterthur Museum, Gardens and Library, Winterthur, DE, US

Alison Murray, Queens University, Kingston, ONT, CA

r Richard Newman, Museum of Fine Arts, Boston, MA, US

Mark Orrnsby, National Archives and Records, Washington, DC, US

Marcello Picollo, lnstitute for Applied Physics "Nello Carrara", CNR, Firenze, IT

Boris Pretzel, Wctoria and Albert Museum, London, UK

Beth Price, Philadelphia Museum of Art, Philadelphia, PA, US

* Masanori Sato, Nara Cultural Research Institute, Nara, JP

Renee Stein, Michael C. Carlos Museum, Emory University, Atlanta, GA

Ken Sutherland, Philadelphia Museum o f Art, Philadelphia, PA, US

David Thickett, English heritage, London, UK

Manfred Schreiner, Academy of Fine Arts, tnstitute of Chemistry, Vienna, AU

Masahiko Tsukada, National Museum of Western Art, Tokyo, JP

Siobhan Watts, National Museums and Galleries on Merseyside, Whitechapel, UK

Raymond White, National Gallery of Art, London, UK

* Scott Williams, Canadian Conservation Institute, Ottawa, CA

Boris Zhadanov, Grabar Art Conservation Center (Russian Scientific Conservation Center named after Grabar), Moscow, RU

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Kilian Anheuser Piero Baglioni Margaret Bolton Lesley Bone Steve Bouffard Elizabeth Bowman Mara Camaiti Janice Carlson Mads Chr. Christensen Luigi Dei Michele Derrick Janet Douglas lnge Fiedler Tarnas Gal Melena Gergen Donald Glusker Kate Helwig Jo Hill Helen Howard Howard Hurnecki Sigurdur Jakobsson Jack E. Katon Herant Khanjian Tanya Kieslich Jim Landry Patricia Lang Deborah Lau-Greig Tom Learner Peter Leavens Susan Lee-Bechtold Suzanne Quillen Lomax Sally Malenka James Martin Blythe McCarthy Pat McGovern Mary Miller Elizabeth Moffatt Andreas Morgos

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Carmen Muro 8. D. Nandadeva Beth Napier Richard Newman Eugenia Ordonez Mark Ormsby Andrew Parker Alan Phenix Marcello Picollo Jenny Pilc Francesca Pique Boris Pretzel Beth Price Anita Quye Sophia Lontai Santora Giuseppe Sarti Manfred Schreiner Bill Seldon Gretchen Shearer Yvonne Shashoua Christopher Sloper Amy Snodgrass Luiz Souza Herbert Stachelberzer Harriett Stratis Dusan Stulik Jennifer Taylor David Thickett Klara Torok Masahiko Tsukada Sari Uricheck Javier Vasquez Negrete Alexey P. Vladimirov Siobhan Watts George Wheeler Nanda Wickramasinljhe B. V. Zhadanov

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Academv of Fine Arts. lnstitute of Chemistry. Vienna. AT

Am.eri~an.Mu~.e.um.~f.,Nat.ural.Hjsto.y,-Ne~York,.YS Archaeological Department, Colombo, LK Art .Institut.e~Chi~apo.,~Chicags, US

Ball S.tate-Unjv-ersit~ Munci.e,-U.5 British Museum. London. UK

Canadian-C~nservatioa-lnst;itute,-9tl.awa,_cA S ; a r ~ ~ h c & o M ~ t n r y and -y. Cardiff. !& CECOFL:7 Escola4eSe.laActs,..F.edecal -Urli,versity..of .Minas Gerais,. BR C.e.nJro.-0~er.e-Dlcte Co.nsig!io_Nazional,eeddeLLe eRi.~er.che, Firenze, IT Courtauld lnstitute of Ar t . Universitv o f London. London. UK

Freer .G3l!ee~-.0fArt,_S.~iSth~0.~i8nA~~fit u~o_n,.Washngt on , US

Getty---tion Institute . Los Aneeles. US Grabar Art Conservation Center (Russian Scientific Conservation Center named after Grabar), Moscow, RU

Hamj1to.n-Kecr..lnstiJute.,-M&t1g5facdLU_K Hirshorn Museum and Sculpture Garden. Smithsanian In~ti tut ion. Washington , US

H u.ng.a&nNa.t,ionalIMuseeum J.lB.~dda~Pfl~?!J HU. I n s . y t o di Recerca Sulle Onde Elettroma~netiche. Lonsiglio Na7ionaled_elkRkice~che,. Fic.erlze., IT

Loyo la ,Marym~ l rnL~n i~e~~~Sy , .Lo5 Angeles,-US

M,H.~D.e~Y.~uagMuseun,~S.anf~a.~cis~~~~.,~S hc_C~pne Research I n s U Chicago. US

Metropo!i.tanMus.e.umm4f-Afla_Nw-'LPrk ,... US Miami University. O x f o r U

Mi~ro~analy_t.iccaLResear_~h.~CCe~t~,I~~~.~11~.I.Physi~JI University-of. Melbourne, AU

Mus~e.o_Nacisnal-Relna.S~fj,~Ma~~iddS Museum A p o l i e d i t y of Pennsykada, Phila.del~hia, US

Mu-seurn. ofF.i;ine.Arts.B.oston,. Bost.on,-US &u<etrm of Modern Art. New York, US

Nati~nal..Accbi~es~~n.d~Racsrds~Ad.mir!is.tratist!,~ash.ingto.~,.VS Natisnal~Cenberfor~reserv~tionElTechn.oI~~yYYYanddTrainjngJJNNatchitoches, US

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Natlona!.G.allery .of At3 , Washingto&-US National Mueurn of Western Art. Tokvo. JP

N.ationa,l.Mus.eums.g.nd .Galle.ries-on. Me~seysi.de,..Liv.erpool,. UK National. Park. Serv~ce,.Harpers,Fer~y,.~.US National School of Conservation, Mexico City, MX Ormylia..A~t :tiagn~sis-C-enSre.,-O,cmy!1il~~GR Philadelphia M w m of Art. Philadelphia. US

Quee_n's-Uni~ersj ty.,M ngsl-or? , L b RathgenForschu.ngsl~bor_,~5_taat~j~he~,Mu~e~e_n~Pre~Bischer. Kulturb-esitz,Berlin, DE

Institutiotls Conh-ibuting Since 1993

School .of Conservatioj?,, D.et_Kongelige Danske Kunstakademi, .Copenhagen, DK

Straus Cpnsewation-C-enter-(Fogg), .Ha,ward.Uni.v.e.rsity Art_Muse~ms,~.Carnbridse~ US Tate Gallerj. London, UK

University, ,qf-Flocence,.Firenze,.!T Uoiversity.of Iceland, Reykjavik, IS University_of Kelanjya,-D,epartwt of-Fine Arts, ,Kelaniya, LK

Victo.ria.and.Albert Mus.eu~,.,South Kensington, UK Wi[[iamstown Art C o n s m t i o n Center, WiIliansSown. US

Winterthur.Museum, Garden and Library, Wilrnington, U,S

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11 Sample Description

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Welcome Mayumi Yoshizawai ._&_. ----

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Common Name

Files 1 to 10 of (23)

Use this page to view, edit, delete, or send submissions to the Review Committee.

CI Pigment Red 202 XX017732 P i~men t Red 202

Heliogen Blau, 27490 Pigment Blue 16

Heliogen Blau, 27490 Pigment Blue 16

Crornophthal Violet Pigment Violet 23

Cromophthal Violet Pigment Violet 23

Chromaphtol Pink FT Pigment Red 122

Filename1 Upload Date

PMA14295.JDX Thu, 23 Oct 2003

PMA14344a. jdx Thu, 22 Jan 2004

PMA14344b. jdx f hu , 22 Jan 2004

PMA14343a. jdx Thu, 22 Jan 2004

PMA14343b. jdx Thu, 22 Jan 2004

PMA14346a. JDX Thu, 22 Jan 2004

Desired Action

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Common Name

'I P i ment Red 202 XX017732 Pigment Red 202 h i ~ ~ m a f i . . e

Welcome Mayumi Yoshizawa!

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Submissions 1 to 10 of (35)

Chromophtol Pink Fr Pigment Red 122 (View Detail) (View-Thum bnail..,.., )

PMA14294.JDX Fri, 23 Jan 2004

Chromophtol Pink FT Pigment Red 122 (Me-v-Detail) (View Thumbnail. ..)

CI Pigment Red 202 XX017732 Pigment Red 202 (View Detail) (View Thumbnajl..,.)

Cinquasia Violet Pigment Violet 19 (View Detail) (View Thumbnail.. .)

Cinquasia Violet Pigment Violet 19 (View Detail) (View Thumbnail. ..)

Filename/ Submission Date

Cromophthal Violet Pigment Violet 23 (View Detail) (View Thumbnail.. .)

Cromophthal Violet Pigment Violet 23 (View Detail) (View Thumbnail.. .)

PMA14346a. JDX Fri, 23 Jan 2004

PMA14346b.jdx Fri, 23 Jan 2004

PM.414295. JDX Fri, 23 Jan 2004

PhlA14351 a. jdx Fri, 23 Jan 2004

PMA1435l b.jdx Fri, 23 Jan 2004

PMA14343a.jdx Fri, 23 Jan 2004

PMA14343b.jdx Fri, 23 Jan 2004

NP-xtz La!&

Submission Status

Under Review

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Not Yet Sent to Review Committee

Not Yet Sent to Review Conlrnittee

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Name Beth Price Email bprice@philamuseum.org

Telephone 21 5-684-7552 Fax 21 5-684-7550 Institution PMA: Philadelphia Museum of Art, Philadelphia, PA, US

Original JCAMP filename: PMA14294.JDX

Sample Description

Physical state 1 solid Form Powder

Common name

Material class

Sample Description

C1 Pigment Red 202 XX017732 Pigment Red 202

OD

Origin

Material source Source location Sample identifier Sample age

Concentrations Other info

Chemical name

Color

Bayer Tate gallery, London CI 73907 Unknown

IR Technique

2,9 Dichloroquinacridone

Red

Instrument

Spectral range

Resolution

Instrument purge

Thermo Nicolet Nexus 670 Spectrometer DTGS

4000 to 600

4

1

Software

Number of scans

Apodization

Omnic 6.Oa

200

Happ-Genzel

PMAI4294.JDX : : Spectrum Thumbnail

Spectrum Thumbnail PMA14294.JDX, CI Piqment Red 202 XX017732 Pigment Red 202, submitted by Mayumi Yoshizawa

- - 1.2-. - - - - 1.0-- - - -

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. . . . . . . . . - - - - - "--.. - --.

0.8 - 0 - c 6 a & 0.6 - V, - .a *

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4000 3500 3000 2500 2000 1500 1000 500 Wavenumbers (cm-I }

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Submissions 1 to 10 of (1 2) next'> Sort by: [ Common Name ] [ Submitter- Name j [ Submitter Institution ] [ Analyst Institution ] [ Submit Date I

Organic Dyes, Pigments

Common Name: Sunfast Blue Pigment Blue 15:O Analyst: Beth Price (PMA)

SubmttterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Em.() Original Filename: PU414271 A.JDX

Common Name: Sunfast Blue Pigment Blue 15:O NEW! Analyst: Beth Price (PMA)

Submitter/Date: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Imbil) Original Filename: PMA14272A. JDX

Common Name: Sunfast Blue Pigment BLue 15:O NEW! Analyst: Beth Price (PMA)

SubmltterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Emaj) original Filename: PMA14273B.JDX

common Name: lrgalite Blue PG Pigment Blue 15:3 NEW!

Analyst: Beth Price (PMA) Submitter/Date: Mayumi Yoshirawa (PMA) Fri, 23 Jan 2004 (Email)

Original Filename: PMA14277. JDX

Common Name: lrgalite Blue GLVO Pigment Blue 15:4 NEW!

Analyst: Beth Price (PMA) SubmltterlDate: Mayumi Yoshirawa (PMA) Fri, 23 Jan 2004 (Email)

Original FiLename: PMA14268B. JDX

Common Name: lrgalite Blue GLVO Pigment Blue 15:4 NEW! Analyst: Beth Price (PMA)

SubmltterJDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Emad) Original Filename: PMA14269B.JDX

common Name: lrgalite Blue GLVO Pigment Blue 15:4 NEW!

Analyst: Beth Price (PMA) SubrnitterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email)

Original Filename: PMA14267A. JDX

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4000 3500 3000 2500 2000 1500 1000 500 Wavenumbers ( ~ r n - ~ )

Review & Evaluate Submissions

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Submissions 1 to 10 of (12) next>> S ~ r t by: [ Common Name ] [ Submitter. Name ] [ Submitter Institution ] [ Analyst Institution j [ Submit Date ]

Organic Dyes, Pigments . .

Common Name: Sunfast Blue Pigment Blue 1 5:O Analyst: Beth Price (PMA)

SubmftterfDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Enall) Orlsinal Filename: PMA14271A. JDX

...... . . . . . . . . . . . . . . -. . . . . . -- --.

Common Name: Sunfast Blue Pisment Blue 15:O NEW!

Analyst: Beth Price (PMA) SubmttterfDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email)

Original Filename: PMA14272A. JDX

Common Name: Sunfast Blue Pigment Blue 15:O NEW! Analyst: Beth Price (PMA)

SubmitterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email) Original Filename: PMA14273B. JDX

. . . . . . . . . . . .

Common Name: lrgalite BLue PG Pi2ment Blue 15:3 NEW! Analyst: Beth Price ( P M )

SubmitterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email) Orisinal Filename: PM414277. JDX

. . . . . . . . . . . . . - - - . . . . .

Common Name: lrgalite Blue GLVO Pigment BLue 15:4 NEW! Analyst: Beth Price (PMA)

SubmitterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 ( b A ) Original Filename: PMA14268B.JDX

...... ...... . . . . . . . . . . . . . . . . - --....-.,--. --. ..- -..

common Name: IrgaLite Blue GLVO Pigment Blue 15:4 NEW1 Analyst: Beth Price (PMA)

SubmftterlDate: Mayumi Yoshizawa ( P M ) Fri, 23 Jan 2004 [ W d ) original filename: PU414269B.JDX

. . . . . . . . . --*-- ... -.

Common Name: lrgalite Blue GLVO Pigment Blue 15:4 NEW! Analyst: Beth Price (PMA)

SubmltterfDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (W) original Fllename: PMA14267A. JDX

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-- I , ,--..-me : PMAI42 71A. JDX Submitted by: Mayumi Yoshizawa Download this file, . .

##TITLE=PMAI4271 Sunfast Blue PB 15:O Sun blue powder on dc, MCTA det ##JCAMP-DX=4.24 $$ Nicolet v . 1 ##DATATYPE=INFRARED SPECTRUM ##ORIGIN=Philadelphia Museum of Art ##OWNER=Nicolet ##~A~~=103/07/28 ##TIME=14 : 24 : 04 ##DATA PROCESSING= Ratio against background %Transmittance->Absorbance Truncated ElementMultiply or ElementDivide ##XUNITS=l/CM ##YUNITS=AsSORBANCE ##FIRSTX=649.903992 ##LASTX=3999.705812 ##FIRSTY=0.198269 ##MAXX=3999.705811 ##MLNX=649.903992 ##M.aXY=l. 095191 ##MINY=0.197945 ##XFACTOR=1.000000 ##YFACTOR=l.OOOOOOE-008 ##NPOINTS=1738 ##DELTAX=1.928499 ##XYDATA= (x++ (Y. . Y ) ) 649.904 19826894 19794508 19872556 19900218 19968312 20027800 20104660 663.404 20123514 20230332 20277946 20395124 20421460 20511310 20652590 676.903 20932460 21077626 21043904 20975738 21260770 21822338 22264364 690.403 22017812 21746978 21747542 21981824 22204668 22396270 22561138 703.903 22888804 23250816 23863370 24760146 26499096 29455260 34845432 717.402 46704372 69445416 89955656 94143304 89378672 78399064 63128144 730.902 47798308 34600428 26061544 22002626 20644486 20592044 21292452 744.402 22400962 23895914 25416428 29057190 41626736 58811760 44323188 757.902 26372606 21257350 20859172 21445576 22983432 27328706 32991060 771.401 31677106 27240354 25878906 25481820 24503114 23340982 22232158 784.901 21224870 20729566 20499340 20486438 20522882 20643600 20889216 798.401 21685554 22925394 23568014 22801818 21662838 21074892 20924086 811.900 20892490 20913818 20970964 21014468 21047234 21122854 21177386 825.400 21238630 21315164 21384502 21418216 21445178 21516574 21627006 838.900 21704768 21752938 21829118 21895782 21974504 22042506 22146920 852.399 22253426 22352220 22443882 22681014 23547406 26225644 27994218 865.899 26367360 25646096 26624442 26569768 24906952 23869166 23566366 879.399 23447556 23184652 22980056 22881488 22881440 22985456 23275788 892.898 23931984 25412410 28856928 35885776 41172788 34902476 26949040 906.398 23863850 23037836 22816734 22712206 22684274 22652488 22677068 919.898 22681498 22688540 22689130 22738930 22787906 22832426 22847120 933.398 22901772 22997786 23420604 25062088 26712012 25853136 25124008 946.897 25533494 26178756 25912708 24805310 23979966 23540848 23278478 960.397 23135022 23037080 22998150 22998334 23075092 23240192 23369010 973.897 23360074 23379056 23471164 23621356 23681784 23592838 23451572 987.396 23379066 23370462 23391830 23455768 23673214 24101242 24788596 1000.896 25382248 25269166 24654914 24170082 23930434 23798294 23683310 1014.396 23605804 23576192 23590694 23627568 23712304 23810334 23883934 1027.895 23956976 24077228 24211464 24293712 24332472 24396714 24468392 1041.395 24507574 24558754 24618142 24734048 24999378 25393414 25900754 1054.894 26550472 27353260 28410844 29955086 32256678 35324316 38674216 1068.393 40851064 40386592 37580372 33958288 30877626 29028952 28429646 1081.892 29181448 31688712 37429192 49788636 72178104 93264672 90613576

PMA1427 1 A. JDX 1959.345 23735074 23523352 23356820 23158616 22953454 22769980 22679194 1972.844 22601902 22533312 22526216 22541054 22534650 22522684 22528624 1986.343 22541432 22568808 22579994 22530644 22473410 22421102 22420054 1999.843 22449288 22438694 22426686 22448980 22445608 22443940 22440500 2013.342 22431870 22431800 22477286 22553798 22546404 22575928 22651194 2026 .841 22672840 22665850 22688748 22716128 22732434 22712026 22668626 2040.340 22671302 22693112 22692148 22666300 22633958 22631656 22626028 2053.840 22633568 22656778 22665092 22713890 22730756 22706808 22662836 2067.339 22689022 22729362 22786006 22818060 22891260 22977638 23085182 2080.838 23165182 23147372 23100770 23059678 23038330 23054704 23080682 2094.337 23153628 23230630 23254588 23182508 23120616 23109872 23103110 2107 .837 23093334 23084376 23045226 22986104 22930040 22914922 22900314 2121.336 22857288 22792160 22707098 22658860 22633098 22594732 22560994 2134.835 22546222 22586182 22662252 22622616 22584278 22571732 22508316 2148.334 22473394 22442892 22410234 22354846 22330978 22342988 22379694 2161.834 22454556 22517364 22526468 22554672 22536158 22491332 22421924 2175.333 22364048 22278344 22218516 22212028 22283264 22316324 22329610 2188.832 22387916 22450594 22517502 22613386 22684956 22676320 22659784 2202.332 22728534 22821874 22896290 22984684 23138214 23358096 23510184 2215 .831 23499114 23403176 23261636 23146210 23069602 23018824 22976246 2229.330 22924354 22881290 22770728 22656540 22613246 22519266 22496242 2242.829 22548748 22616778 22647786 22704164 22751290 22814318 22871864 2256.329 22927650 23030592 23080656 22996366 22852332 22716834 22629886 2269.828 22615502 22642922 22705210 22756576 22806750 22862684 22854254 2283.327 22795468 22726904 22711196 22742466 22775030 22766024 22740578 2296.826 22707508 22633500 22537104 22444320 22344842 22279106 22220304 2310.326 22153612 22094990 22063204 22037252 22012798 22009330 22012282 2323.825 22011098 22021974 22001814 21951574 21890678 21841768 21794332 2337.324 21788732 21810528 21831158 21859940 21888058 21936194 21973924 2350.823 21976916 21976650 21940900 21907916 21885154 21900084 21930782 2364.323 21973238 22045150 22123116 22160650 22145910 22078448 22054410 2377 .822 22147764 22336102 22588242 22714960 22607196 22388382 22186190 2391.321 22032856 21930312 21880980 21852792 21854812 21880790 21909540 2404 .821 21963036 22032202 22140408 22256780 22310000 22279030 22215224 2418.320 22143558 22075706 22073316 22136844 22241498 22401946 22610622 2431.819 22755976 22700990 22474458 22208092 21983070 21792370 21632606 2445.318 21523254 21470276 21462824 21453828 21465080 21539010 21642782 2458.818 21748490 21835006 21841974 21801462 21700778 21618384 21577350 2472.317 21563924 21553170 21525500 21473824 21441202 21410806 21375288 2485.816 21352566 21346072 21317134 21294320 21291758 21295604 21312224 2499.315 21308772 21316034 21345680 21409274 21475092 21497358 21485416 2512.815 21440148 21406184 21367180 21314526 21270714 21252766 21261968 2526.314 21264466 21274338 21333290 21441544 21551708 21666522 21861844 2539.813 22046196 22171612 22251882 22318464 22341832 22325652 22303196 2553.313 22315418 22455480 22731402 23002906 23128076 23088138 23004102 2566.812 23032126 23331762 23865154 24336752 24430376 24142210 23641128 2580 .311 23129566 22747600 22556768 22571314 22733570 22920652 23049516 2593.810 23059036 22965628 22846634 22765892 22741460 22731372 22677848 2607.310 22570420 22493390 22494138 22595004 22799656 22997346 23077104 2620.809 23036028 22916046 22777630 22713170 22722260 22755898 22761060 2634.308 22751654 22750648 22799822 22950960 23251122 23698730 24159474 2647.807 24400192 24266612 23844534 23332132 22880078 22551384 22343568 2661.307 22225854 22161290 22138302 22149786 22183536 22256490 22334644 2674.806 22408608 22451598 22426448 22398428 22401086 22413816 22401424 2688.305 22329048 22226448 22135144 22025786 21928060 21846400 21793054 2701.804 21764960 21726814 21686808 21642270 21593370 21569756 21571054 2715.304 21587684 21594406 21577030 21557676 21550350 21563886 21586992 2728.803 21621204 21649138 21696056 21780560 21865178 21910382 21911246 2742.302 21881798 21835368 21811100 21820844 21854878 21912560 22001480 2755.802 22080960 22161138 22245744 22317036 22390250 22465960 22553768 2769 .301 22685186 22774250 22754110 22657142 22556284 22484724 22423830 2702.800 22374808 22337110 22293730 22259002 22240582 22248880 22267974 2796.299 22285790 22305864 22313402 22317592 22343836 22378396 22415220 2809.799 22473712 22586880 22736418 22862498 22939670 22944378 22905194

PMAI427 1 A. JDX

PMAI42 7 1 A. JDX

Review & Evaluate Submissions

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Organic Dyes, Pigments

Common Name: Sun fast Blue Pigment Blue 1 5:O

Analyst: Ceth Price (PMA) SubmltterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Emtd)

original Filename: PMA14271 A. JDX

Common Name: Sunfast Blue Pigment Blue 15:O NEW!

Analyst: Beth Price ( P M )

SubrnitterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Ema i l ) Ortginal Filename: PMA14272A.JDX

Common Name: Sunfast Blue Pigment Blue 1 5:0 NEW!

Analyst: Beth Price (PMA) SubmitterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email)

Oriainal Filename: PMA14273B.JDX

common Name: lrgalite Blue PG Pigment Blue 1 5 3 NEW!

analyst: Beth Price (PMA) SubrnitterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (W)

Orisinal Filename: PMA'4277. JDX

Common Name: lrgalite Blue GLVO Pigment Blue 15:4 NEW!

Analyst: Beth Price (PMA) SubmitterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email)

Original Filename: PMA14268B. JDX

View-?h.urnbnail,.. Y.i ei_RawJ.CAMP.. . Download JCAMP.. . Open..in Editor., .

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... Download JCAMP Open jnEditor,. .

View_Lh.u.mbnnaJ ..,. ViewBaw-JCBMP .2,

Download JCAMP.., OpenjaEuditor,..

Common Name: lrgalite Blue GLVO Pigment Blue 15:4 NEW!

Analyst: Beth Price (PMA)

SubmitterlDate: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email) Original Filename: PMA142698, JDX

View-Thumbnail ,. . View-Raw JCAMP,. . Download JCAMP.. . O p e m . Editor.,.,.

common Name: lrgalite Blue GLVO Pigment BLue 15:4 NEW! Analyst: Beth Price (PMA)

5ubmitterlDat.e: Mayurni Yoshizawa (PM4) Fri, 23 Jan 2004 (Email) Original Filename: PMA14267A. JDX

V i e w 3 urnbbnail,,. Yi.&aw JCAMP, - . Down toad JCAMP.. . Qpen in Editor.. .

1 , . Title, .

Title Details: Sunfast Blue Pigment Blue 15:O (id: 11 21 ) Submission Status: Under Review

To print this page, use ctrl-P B= Add Editorial Comment @ = Online Help

R a w JCAMP:

##TITLE = PMA14271 Sunfast Blue PB 15:O Sun blue powder on dc, MCTA det

Submitter lnput Commonltrade name(s)

BE Sunfast Blue Pigment Blue 15:O Material source

B@ Sun Sample identifier

Cl74160 Institutlon

(PMA)

Raw JCAMP:

##DATATYPE = LDR contained no data or was !lot present. ##$IRUG-Material-Class = LDR contained no data or was not preseni.

Submitter lnput Datatype:

B Y 3 INFRARED SPECTRUM Material class:

Lao OD

Raw JCAMP:

UUJCAMP-DX = 4.24 S$ Nicolet v. I

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Institution Details Page 1 of 1

Institution Details: Sunfast Blue Pigment BLue f5:O (id: 1121) Submission Status: Under Review

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Raw JCAMP: ##ORIGIN = Philadelphia Museum of Art ##OWNER = t4icolet ##Slnstitution File Name = LDR contained no data or wos not present.

Submitter Input Anaylyst name

&@ Beth Price Fax

B@ 215-684-7550

I Raw JCAMP: ##DATE = 103107l28 ##TIME = 14:24:04

. . . . . - - - -. . . .

Instn~mcnt Details Page 1 of l

Instrument t..' .-. ,.& . --, 2 . .-. . >

Instrument Details: Sunfast Blue Pigment Blue 15:O (id: 1121) Submission Status: Under Review

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Raw JCAMP: ##SPECROMETERIDATA SYSTEM = LDR contained no data or was not present.

Submitter lnput Instrument and detector: Software:

B@ Therma Nicolet Nexus 670 Spectrometer DTGS &@ Omnic 6.Oa

Raw JCAMP: ##INSTRUMENT PARAMETERS = LDR contained no doto or was not present. ##RESOLUTION =

Submitter lnput Apodlzation Number of scans:

B@ Happ-Genzel Em 200 Instrument purge: S ectral ran2e: !a@ I Frorn:4000 to: 600cm-' Resolutlon:

Pro 4

Raw JCAMP: ##DATA PROCESSING= Ratio against background %Transmittance->Absorbance Truncated ElementMultiply or ELementDivide

Submitter lnput Baseline correctton CO2 correclion B O No la-9 No Other processing detaits &@ Submit ref. did not supply

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Page 1 ol' I

Sampling Details: Sunfast Blue Pigment Blue 15:O (id: I 121 ) Submission Status: Under Review

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Raw JCAMP: ##SAMPLE DESCRIPTIOI.I= LDR contained no dato or was not present.

Submitter lnput Accessories (and detector, li applicable) Sampte support

B@ Microscope Therrno Nicolet Continuum MCTA 5(3 Diamond

Raw JCAMP: ##SAMPLING PROCEDURE= LDR contained no dam or was not present. ##PATH LENGTH = LDR contained no dato or was not present. ##PRESSURE = LDR contained no dato or was not present. ##TEMPERATURE = LDR contained no dola or was not present.

Submitter lnput Path length Pressure Temperature Mode

B @ ~ u b m i t t e r did not supply R a ~ u b r n i t t e r did not supply B @ ~ u b r n i t l e r did not supply B@ tran Sample preparation

&@other, Flattened with roller tool

Sample Details - - --

Page I of 2

Sampte Details .- - . a -

Sample Details: Sunfast Blue Pigment Blue 15:O (id: ll 21 ) Submission Status: Under Review

To print this page, use ctrl-P B= Add Editorial Comment @ = Online Help

Raw JCAMP: ##NAMES = LDR contained no data or was not present. ##CAS NAME = LDR contained no data or was not present. ##CAS REGISTRY 140 = LDR contoined no data or was not present.

Submitter lnput Cornmonltrade name(r) CAS narne(s]

B@ Sunfast BLue Pigment Blue 15:O B@ Submiller did not supply Chemical narnefs) CAS registry number

@@ Copper Phthalocyanine B@ Submitter did not supply

Raw JCAMP: ##MOLFORM = LDR contained no data or was not present. ##MW = LDR contained no data or was not present. ##WISWESSER = LDR contoined no data or was not present. ##BEILSTEIN LAWSON = LDR contailled no data or was not present.

Submitter Input Molecular lorniula Molecular weight

B@ C32H16CuN8 50 576.07 Wlswesser llne notation Beilstefn Lawson number m@ Submitter did not supply Submilter did not si~pply

Raw JCAMP: ##MP = LDR conlained no doto or was rrot present. # f lBP = LDR contoined no data of. rvos not present. ##DENSITY = LDR contained r~o dala or was not present. ##REFRACTIVE I N D E X = LDR contained no data or was not present. ##$Age =

il#SColor = ##STATE =

Submitter lnput Melt13 polnt Bailing poirit B(z> Subn~itter did not supply BC?> S~lbn~i t ter did not supply Density Refractive Index

&!?? 1.6 &3 1.38 Color 80 Unknown B@) Blue

Plipical state Form-

5@ Solid Be! Powder, Powder

Sample Details Page 2 of 2

Raw JCAMP: ##COI.ICEI.1TRATlONS = LDR contained no data or was not present. ##CROSS REFERENCE =

Submitter Input Concentrations

Submitter did r?ot supply Other anatytical methods used

Submitler did not supply

Raw JCAMP: ##$Material Source = ##$Source Location =

##$Sample Identifier =

Submitter lnput Material source

B O sun Source location

B@ Tate Gallery, London Sample identifier &@ CI 74160

r.. -. .?-. ... ... . .- .-, ?'., ... . '

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Summary Details: Sunfast Blue Pigment Blue 15:O (id: I 121 ) Submission Status: Under Review

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My Decision

r Accept as is

r Accept with minor revision

r Return for revision/resubrnission A Register My Decision

I have NOT decided yet.

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Organic Dyes, Pigments

common Name: lrgalite Blue BSNF Pigment Blue 15:2 NEW!

Analyst: Beth Price (PMA) Submitter: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email)

original Fllename: PMA14274b.JDX

Common Name: lrgalite Blue BSNF Pigment Blue 15:2 NEW!

Analyst: Beth Price (PMA)

Submitter: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email) Ortslnal Filename: PMA14275b. J DX

common Name: lrgalite Blue BSNF Pigment Blue 15:2 NEW!

Analyst: Beth Price (PMA)

Submitter: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email) Original Filename: PMA14276a. JDX

Common Name: lrgalite Blue GLVO Pigment Blue 15:4 NEW!

Analyst: Beth Price (PMA) Submitter: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email)

Original Filename: PMA14267A. JDX ... - . .. .

Common Name: lrgalite Blue GLVO Pigment Blue 15:4 NEW! Analyst: Beth Price (PMA)

Submitter: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email) Original Filename: PMA14268B. JDX

. . .

Common Name: Irgalite Blue GLVO Pigment Blue 15:4 NEW!

Analyst: Beth Price (PMA)

Submitter: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Emait) Oriainal Fllename: PMA14269B.JDX

- .- .. - -

Common Name: lrgalite Blue PG Pigment Blue 15:3 NEW! Analyst: Beth Price (PMA)

Submitter: Mayumi Yoshizawa (PMA) Fri, 23 Jan 2004 (Email)

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Carbohydrates . . . . . . . . - .

Common Name: gummi gum3 Analyst: Janice Carlson (WM)

SubmitterlDate: Janice Carlson (XXX) Mon, 13 Oct 2003 (Email) Original Filename: #2 Acacia dealbata.DX

. - . - . . - . .... .-..... d .- - .-. ..---

Common Name: pummj gum 4 Analyst: Janice CarLson (WM)

SubmitterlDate: Janice Cartson (XXX) Mon, 13 Oct 2003 (Email) Orlginal Filename: #4 Acacia ferruginea Dc.DX

. . . . . . . . . . . . . . .

Natural Resins

Common Name: gummi gum 5 Analyst: Janice Carlson (WM)

Submttter/Date: Beth Price (PMA) Mon, 13 Oct 2003 (Email) Original Filename: #26 Butea frondosa.DX

Unclassifed

Common Name: sdg Analyst: Beth Price (PMA)

SubmitterIDate: Ken Ehrman (PMA) Thu, 2 Oct 2003 (Ernail) orisinal Filename: PMA14269B. JDX

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Article title: Ageing of Essential Oils Book Title: lnfrared Analysis of Essential Oils Page number($) 147; Spec. 203-214 Author(s): Juana Bellanato, Antonio Hidalgo Publisher: Heyden & Sons Ltd. Place of publication: L0fld0fl Year of publication: 'I 971

~ o o k Tltle: Aldrich Library of Infrared Spectra, The Author@): C. J. Pouchert Edition: 3rd Publisher: Aldrich Chemical Company Place of publiration: Milwaukee Year of publication: 1981

Article title: Analysis of Ased Paint Binders by FTlR Spectroscopy Journal Title: Studies in Con~er~at ion Page number(s) 33-51 Author(s1: Raymond J. Meilunas, James G. Bentson, Arthur Steinberg Issue number: 35 Year of publication: 1990

Article title: Analytical: Techniques for Identification and Characterization ~ o o k Title: Handbook of Pressure Sensitive Adhesive Technology Page numDer(s) 204-243 Authorls): David N. Kendall

Subject matter: Oils, Fats

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lnput by Beth Price

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Editor(s): Donatas Satas Edition: 2nd Publisher: Van Nostrand Reinhold Place of publication: New York Year of publication: 1989

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Article title: Application of FTlR Microspectroscopy to the Subject matter:

Identification of Naturally Occurring Minerals i n Works of Art Minerals, Inorganic Pigments

Book Tltle: Art '96 Citation type:

Conference title 5th International Conference on Non-Destructive Article in conference proceedings, pre/post prints

Input by Testing, Microanalytical Methods and Environmental P e t e m Evaluation for Study and Conservation o f Works of Art Page number(s1 51 3-532 Author(s): Beth A. Price, Janice H. Carlson, Richard Newman, e t al. Publisher: Hungarian Chemical Society Place of publication: Budapest Year of publication: 1996

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Artlcle title: Azeing of Essential Oils Book Title: Infrared Analysis of Essential Oils Page nurnber(s) 147; Spec. 203-214 Author(s): Juana Bellanato, Antonio Hidalgo Publisher: Heyden & Sons Ltd. Place of publlcation: London Year of publfcation: 1971

~ o o k Title: Aldrich Library of lnfrared Spectra, The Author(5): C. J. Pouchert Edition: 3rd Publisher: Aldrich Chemical Company Place of publication: Milwaukee Year of publication: 1981

Article title: Analysis of Aged Paint Binders by FTlR Spectroscopy Journal Title: Studies in Conservation Page number(s) 33-51 Author(s): Raymond J. Meilunas, James G. Bentson, Arthur Steinberg Issue number: 35 Year of publication: 1990

Article title: Analytical Techniques for Identification and Characterization ~ o o k Title: Handbook of Pressure Sensitive Adhesive Technology Paee nurnber(s) 204-243 Author(s): David N. Kendall

Subject matter: Oils, Fats

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lnput by Beth Price

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Prepared by Beth Price Boris Pretzel

Philadelphia Museum of Art Victoria 6 Albert Museum Principal Editors

Janice Carlson Winterthur Museum Winterthur, DE, US

Elizabeth Bowman Philadelphia Museum of Art

Philadelphia, PA, US

Herant Khanjian ter ty Conservation Institute

Los Angeles, CA, US

James Martin

Boris Pretzel Victoria and Albert Museum

London, UK Editors

Janet Douglas Freer Gallery of Art,

Srnitlisonian Institution Washington, DC, US

Suzanne Quillen Lornax National Gallery of Art

Washington, DC, US

Mitsuru Mimura

Beth Price Philadelphia Museum of Art

Philadelphia, PA, US

Sandhya Jain Conservation Center of the Institute of

Fine Arts, New York University New York, NY, US

Christopher Maines National Gallery of Art

Washington, DC, US

Richard Newman

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JCAMP-DX Spectral File Format for Submissions to the Infrared & Raman Users Group (IRUG) Database

Boris Pretzel, Victoria 8 Albert Museum Beth Price, Philadelphia Museum of Art Janice Carlson, Winterthur Museum, Garden ti Library

Abstract (Updated 25 February 2002)

This paper presents guidelines for the submission of spectra in the JCAMP-DX format to the [RUG (Infrared and Raman Users Group) Database. JCAMP-DX was chosen as the file format as i t i s platform independent and will allow error- free transfer of spectral information between various instruments and users. IRUG wil l use the JCAMP-DX files as the principal source of information for submitted spectra. A l l information pertaining to the sample and spectrum (as outlined on the IRUG Spectrum Submission Form) i s incorporated into the JCAMP-DX file in a consistent format to create a complete data record. This format, consisting of both JCAMP-DX 4.24 and user (IRUG) defined labelled data- records (LDRs), i s described. The LDRs for IRUG have been kept to a minimum to facilitate automatic transfer of the information when the l RUG JCAMP-DX files are imported into the users' infrared software packages.

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12559: f # CAS REGISTRY NQ

12739: ##SAQ~:

12727: ##SColor

1231 9: ##Slnstitution Filename

12751 : ##$[RILGNaterial Class

12307: ##$LLc.wse

12691 : ##$MaterialSource

1271 5: ##$Sample Identifier

12703: ##$Source Location

12583: ##BEILSTE!N_UWSONN-CI

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Tit'e: Labeled-data records (LDR) (id= 12403)

JCAMP-DX files consist of a series of Linked labeled-data records (or fields) known as LDRs.'Each LDR i s one or more lines in an ASCII f i le beginning with a data label name (label) followed by corresponding information and data (each line has an 80 character limit).

For JCAMP files to function properly, the first three LDRs must be in this order: #iTITLE=, Article ##JCAMP-DX-, ##DATA TYPE=, and the final LDR must be ##END=. The order of all other LDRs is Text: not critical and various JCAMP converters may order LDRs differently.

In IRUG spectral files LDRs are grouped as follows: compulsory (title, JCAMP version, data type), submitting fnstitution details, instrument details, sampling details, sample details, additional IRUG sample details, and spectral information.

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Temperature (id=12127)

Article Sample temperature during acquisition of data in degrees Celsius ( O C ) i f significantly different Text: from room temperature.

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Tit'e: Chemical name (1 1 ) (id= 1 1647)

Scientific name that clearly identifies a material. Examples: calcium sulfate dihydrate, poly (methyl acrylate-ethyl methacrylate) copolymer.

Multiple chemical names must be entered on separate lines. Example: Text: methyl palmitate

palmitic acid methyl ester hexdecanoic methyl ester

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