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315 bytes added ,  08:53, 29 January 2020
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== SFRM files ==
 
== SFRM files ==
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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_data|Bruker data]].
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Bruker instruments save frames in SFRM file format.  
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XDS correctly reads these files. Data from CCD detectors, however, need to be "unwarped"; unwarping can be done within the Bruker software called Proteum2. See also [[ccp4com:Bruker_software|Bruker software]]. Data from more recent detectors, in particular all Photon detectors, do not need to unwarped and can be processed directly with XDS.
    
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.
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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
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  JOB= XYCORR INIT COLSPOT IDXREF DEFPIX INTEGRATE CORRECT
  INCLUDE_RESOLUTION_RANGE=50 2.5
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  INCLUDE_RESOLUTION_RANGE=50 1
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TRUSTED_REGION=0 1.4142
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! UNTRUSTED_QUADRILATERAL= <8 numbers, easily specified using XDSGUI>
 
  ...
 
  ...
  
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