Difference between revisions of "Bruker data"

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== SFRM files ==
 
== 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 [[ccp4com:Bruker_data|Bruker data]].
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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 [[ccp4com:Bruker_software|Bruker software]].
  
 
For such files, [https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=CCP4BB;ce43e97e.1907 Tim Grüne] provides the program <code>sfrmtools</code> at [https://homepage.univie.ac.at/tim.gruene/research/programs/conv/sfrmtools/]. 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.
 
For such files, [https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=CCP4BB;ce43e97e.1907 Tim Grüne] provides the program <code>sfrmtools</code> at [https://homepage.univie.ac.at/tim.gruene/research/programs/conv/sfrmtools/]. 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.

Revision as of 08:21, 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 software.

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.