Difference between revisions of "Bruker data"

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  INCIDENT_BEAM_DIRECTION=0 0 1
 
  INCIDENT_BEAM_DIRECTION=0 0 1
 
Additional ones can of course be used to modify the operation of XDS, e.g.
 
Additional ones can of course be used to modify the operation of XDS, e.g.
  JOB= CORRECT
+
  JOB= XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT
  INCLUDE_RESOLUTION_RANGE=50 2.5
+
  INCLUDE_RESOLUTION_RANGE=50 1
 +
TRUSTED_REGION=0 1.4142
 +
! UNTRUSTED_QUADRILATERAL= <8 numbers, easily specified using XDSGUI>
 
  ...
 
  ...
  

Revision as of 08:18, 29 July 2019

SFRM files

The SFRM file format used to be written by CCD detectors. XDS correctly reads them if they are "unwarped"; unwarping can be done within the Bruker software called Proteum2. See also Bruker data.

For such files, Tim Grüne provides the program sfrmtools at [1]. It extracts parameters relevant for data processing with XDS from the header. The output should be saved in a file - only three more keyword/parameter lines are required for a minimal XDS.INP, namely e.g.

NAME_TEMPLATE_OF_DATA_FRAMES=/my/data/name_????.sfrm
OVERLOAD=1000000 
INCIDENT_BEAM_DIRECTION=0 0 1

Additional ones can of course be used to modify the operation of XDS, e.g.

JOB= XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT
INCLUDE_RESOLUTION_RANGE=50 1
TRUSTED_REGION=0 1.4142
! UNTRUSTED_QUADRILATERAL= <8 numbers, easily specified using XDSGUI>
...


CBF files

New detector types (optionally?) write CBF files, which XDS natively reads. generate_XDS.INP generates XDS.INP for CBF data written by the PHOTON II detector.