Bruker data: Difference between revisions
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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 | INCLUDE_RESOLUTION_RANGE=50 1 | ||
TRUSTED_REGION=0 1.4142 | |||
! UNTRUSTED_QUADRILATERAL= <8 numbers, easily specified using XDSGUI> | |||
... | ... | ||
Revision as of 09:18, 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.