_refln.crystal_id and wavelength_id #155
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So far I haven't heard about any objections from annotators. Crystal_id and wavelength_id make sense only for unmerged reflections. Due to software limitations in almost all entries they are included also in merged data. The data table usually starts with: Formally, they are not mandatory: Could your colleague reply to the PDB annotator that these items are not required? If more than one crystal or wavelength is used, the merged intensity is a weighted average of intensities from all crystals and wavelengths, so it's not possible to meaningfully assign these IDs. If there are technical problems with processing such files by the OneDep pipeline let me know, I'll try to sort it out. Both mxdepo.html and OneDep are updated from time to time, so it could happen that what used to work previously doesn't work now. |
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The annotator was concerned about the warning message on their system. Today the entry was released, and it seems the annotator finally put dummy values for _refln.crystal_id and _refln.wavelength_id. I hope the system will be clearer so that unnecessary warnings are not shown to annotators. |
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My colleague who deposited an unmerged cif generated in mxdepo.html (#130) was told to re-upload the cif file by the PDB annotator, because following items were missing:
_refln.crystal_id
_refln.wavelength_id
Do you have a similar experience? Could you add these if they are actually needed?
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