XDSGUI: Difference between revisions

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64 bytes added ,  18 May 2023
(→‎XDSCONV: added note that running XSCALE first is not required)
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=== Frame ===
=== Frame ===


to display existing 2-dimensional data frames, or to start XDS data processing by displaying a raw data frame. In the latter case, the "generate XDS.INP" button runs the [[generate_XDS.INP]] script to create a first XDS.INP from the header of the raw data frame that is being displayed. (Note: this button needs to be used only once per dataset; all later changes to XDS.INP are done by different means - manually or scripted) The blue circle(s) delineate(s) the area(s) of the detector within TRUSTED_REGION; the green circles correspond to INCLUDE_RESOLUTION_RANGE, and the red [[XDSGUI#Technical aspects of XDSGUI usage|hatched]] regions correspond to EXCLUDE_RESOLUTION_RANGEs. The locations of the circles are not as accurate as those that XDS uses internally, because only values from XDS.INP, not the refined ones from XPARM.XDS) are used to calculate the resolution. After XDS has indexed spots, they can be visualized with the *predictions* button.
to display existing 2-dimensional data frames, or to start XDS data processing by displaying a raw data frame. In the latter case, the "generate XDS.INP" button runs the [[generate_XDS.INP]] script to create a first XDS.INP from the header of the raw data frame that is being displayed. (Note: this button needs to be used only once per dataset; all later changes to XDS.INP are done by different means - manually or scripted) The blue circle(s) delineate(s) the area(s) of the detector within TRUSTED_REGION; the green circles correspond to INCLUDE_RESOLUTION_RANGE, and the red [[XDSGUI#Technical aspects of XDSGUI usage|hatched]] regions correspond to EXCLUDE_RESOLUTION_RANGEs. The locations of the circles are not as accurate as those that XDS uses internally, because only values from XDS.INP, not the refined ones from XPARM.XDS) are used to calculate the resolution, and do not currently account for segmented or curved detectors. After XDS has indexed spots, they can be visualized with the *predictions* button.


Untrusted areas can be specified by the user, using two (UNTRUSTED_ELLIPSE; UNTRUSTED_RECTANGLE) or four (UNTRUSTED_QUADRILATERAL) right mouse clicks. The resulting areas are shown with red outline, and the keyword/parameter pairs are placed in the XDS.INP tab. Step-by-step:
Untrusted areas can be specified by the user, using two (UNTRUSTED_ELLIPSE; UNTRUSTED_RECTANGLE) or four (UNTRUSTED_QUADRILATERAL) right mouse clicks. The resulting areas are shown with red outline, and the keyword/parameter pairs are placed in the XDS.INP tab. Step-by-step:
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