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No documentation of CrystFEL columns

Open kmdalton opened this issue 1 year ago • 1 comments

The docstring for rs.read_crystfeldoesn't say anything about the columns in the dataset which it returns. I suggest the following descriptions as a start:

  • XDET,YDET : internal detector panel coordinates
  • s1x,s1y,s1z : scattered beam wavevector which points from the sample to the bragg peak
  • I, SigI : intensity, uncertainty
  • ewald_offset, angular_ewald_offset : the distance in cartesian space in reciprocal angstroms or polar coordinates in degrees between the observed reflection and the ewald sphere
  • BATCH : the image number

kmdalton avatar Nov 09 '23 15:11 kmdalton

@kmdalton Do you think it makes sense to incorporate this into #216 because it already includes planned updates to the implementation?

JBGreisman avatar Nov 11 '23 17:11 JBGreisman