In context…. xia2: what is it? Automated expert data reduction – images in, reflections suitable...
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Transcript of In context…. xia2: what is it? Automated expert data reduction – images in, reflections suitable...
![Page 1: In context…. xia2: what is it? Automated expert data reduction – images in, reflections suitable for phasing out. Handles: –MAD data –Multiple passes.](https://reader031.fdocuments.in/reader031/viewer/2022020417/56649f385503460f94c54670/html5/thumbnails/1.jpg)
in context…
![Page 2: In context…. xia2: what is it? Automated expert data reduction – images in, reflections suitable for phasing out. Handles: –MAD data –Multiple passes.](https://reader031.fdocuments.in/reader031/viewer/2022020417/56649f385503460f94c54670/html5/thumbnails/2.jpg)
xia2: what is it?
• Automated expert data reduction – images in, reflections suitable for phasing out.
• Handles:– MAD data– Multiple passes (high + low resolution)– Awkward cases
• Prepares data for phasing with e.g. Mr Happy, Mr Bump, solve/resolve....
• Implemented for e-HTPX data services
![Page 3: In context…. xia2: what is it? Automated expert data reduction – images in, reflections suitable for phasing out. Handles: –MAD data –Multiple passes.](https://reader031.fdocuments.in/reader031/viewer/2022020417/56649f385503460f94c54670/html5/thumbnails/3.jpg)
In
• Images
• Input file explaining what the images are
• F’, f’’, sequence & heavy atom information optionally to allow automagic launching of experimental phasing / mr / model building (future)
![Page 4: In context…. xia2: what is it? Automated expert data reduction – images in, reflections suitable for phasing out. Handles: –MAD data –Multiple passes.](https://reader031.fdocuments.in/reader031/viewer/2022020417/56649f385503460f94c54670/html5/thumbnails/4.jpg)
Out
• Nicely prepared “polished” reflections
• Organised log files
• Harvesting files
• References for programs xia2 used in reducing your data in BIBTeX format
• Table 1 for your paper
![Page 5: In context…. xia2: what is it? Automated expert data reduction – images in, reflections suitable for phasing out. Handles: –MAD data –Multiple passes.](https://reader031.fdocuments.in/reader031/viewer/2022020417/56649f385503460f94c54670/html5/thumbnails/5.jpg)
Flow (simple)
+ Solve / Resolve + Arp / wArp [simple scripts]
![Page 6: In context…. xia2: what is it? Automated expert data reduction – images in, reflections suitable for phasing out. Handles: –MAD data –Multiple passes.](https://reader031.fdocuments.in/reader031/viewer/2022020417/56649f385503460f94c54670/html5/thumbnails/6.jpg)
Publications Etc.
• 2 papers currently on the go– Architecture – getting there– Science / crystallographic decision making
just getting started
• Also demonstrating at CCP4 workshop @ York and RapiData ’07
![Page 7: In context…. xia2: what is it? Automated expert data reduction – images in, reflections suitable for phasing out. Handles: –MAD data –Multiple passes.](https://reader031.fdocuments.in/reader031/viewer/2022020417/56649f385503460f94c54670/html5/thumbnails/7.jpg)
Links
• In development – recording process through dbCCP4i to allow review
• Prepares data for CCP4 automation projects
• Can carefully reduce data collected by DNA
• BioXHit “standards for pipelines” output