Bruker data: Difference between revisions
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(Replaced content with "CCD detectors: XDS only reads "unwarped" Bruker "sfrm" format frames; unwarping can be done within the Bruker software called Proteum2. See also ccp4com:Bruker_data|Bruk...") Tag: Replaced |
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== SFRM files == | |||
Tim Grüne provides | 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]]. | ||
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. | |||
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= CORRECT | |||
INCLUDE_RESOLUTION_RANGE=50 2.5 | |||
... | |||
== 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. | |||
Revision as of 22:05, 28 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= CORRECT INCLUDE_RESOLUTION_RANGE=50 2.5 ...
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.