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Image file formats

autoPROC Documentation : Image file formats

Copyright    © 2004-2018 by Global Phasing Limited
 
  All rights reserved.
 
  This software is proprietary to and embodies the confidential technology of Global Phasing Limited (GPhL). Possession, use, duplication or dissemination of the software is authorised only pursuant to a valid written licence from GPhL.
Documentation    (2004-2018)  Clemens Vonrhein, Claus Flensburg, Wlodek Paciorek & Gérard Bricogne
 
Contact proc-develop@GlobalPhasing.com

XDS requires the specifcation of detector type and what specific settings were used for a particault sweep. Therefore, autoPROC needs to read the image header itself to extract not only the detector type but also important information about the data collection (distance, wavelength, direct beam coordinates etc). A supporting program imginfo has been developed that performs these tasks. At the moment the following image types are recognized:

Requests for support of additional detector types in the XDS modules of autoPROC should be accompanied by example images or datasets.

If the automatically determined description of the specific setup (direct beam, goniometer, detector) is inadequate, several parameters can be used to set them explicitly, e.g. using 

autoPROC_XdsKeyword_INCIDENT_BEAM_DIRECTION="0.0 0.0 1.0"
autoPROC_XdsKeyword_DIRECTION_OF_DETECTOR_XAXIS="1.0 0.0 0.0"
autoPROC_XdsKeyword_DIRECTION_OF_DETECTOR_YAXIS="0.0 1.0 0.0"
autoPROC_XdsKeyword_ROTATION_AXIS="0.0 -1.0 0.0"
As you can see, any XDS input parameter can be set directly using the autoPROC_XdsKeyword_* syntax. We also provide a wiki page with beamline/instrument-specific settings, that we attempt to keep up-to-date as much as possible. Please contact us if a particular instrument is not listed there or if you had to use non-standard settings on a particular detector/instrument.

For some beamlines we provide ready-to-use (so-called) macros: see "process -M list" for details.

Note : it is recommended to use the latest version of XDS (at the time of writing: January 26, 2018)

Last modification: 27.03.2018