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XDSGUI: Difference between revisions
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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 a simplified formula (and only values from XDS.INP, not the refined ones from XPARM.XDS) is used to calculate the resolution; this e.g. does not take care of detector swingout or otherwise skew geometry. | 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 a simplified formula (and only values from XDS.INP, not the refined ones from XPARM.XDS) is used to calculate the resolution; this e.g. does not take care of detector swingout or otherwise skew geometry. | ||
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 | 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: | ||
* "Load" a data file (e.g. FRAME.cbf) or, in case of Eiger HDF5 data, a frame based on a *master.h5 file to have it displayed. The pane can be "dragged" with the left mouse button; the mouse wheel zooms. The parameters in the XDS.INP tab are taken for resolution calculations (i.e. the frame header is not being interpreted in any way). For HDF5 data, the *master.h5 file must be loaded; this will automatically show | * "Load" a data file (e.g. FRAME.cbf) or, in case of Eiger HDF5 data, a frame based on a *master.h5 file to have it displayed. The pane can be "dragged" with the left mouse button; the mouse wheel zooms. The parameters in the XDS.INP tab are taken for resolution calculations (i.e. the frame header is not being interpreted in any way). For HDF5 data, the *master.h5 file must be loaded; this will automatically show its first frame (note that for this to work, the path to the correct [[XDSGUI#Technical aspects of XDSGUI usage|"generic library"]] must be specified in Menu/Settings). The frame number can be chosen with the selection box on the right, or the up-down arrows. | ||
* if XDS.INP does not yet exist, click "generate XDS.INP" (this ''will'' read the header). Check the XDS.INP tab afterwards but then go back to the Frame tab. Note that the current [[generate_XDS.INP]] works well for Pilatus, ADSC, Mar, [[Eiger]] and some Rigaku detectors; for other kinds of detectors the values marked XXX in XDS.INP have to be filled in manually. | * if XDS.INP does not yet exist, click "generate XDS.INP" (this ''will'' read the header). Check the XDS.INP tab afterwards but then go back to the Frame tab. Note that the current [[generate_XDS.INP]] works well for Pilatus, ADSC, Mar, [[Eiger]] and some Rigaku detectors; for other kinds of detectors the values marked XXX in XDS.INP have to be filled in manually. | ||
* left-click on "Untrusted areas" -> a pulldown menu appears | * left-click on "Untrusted areas" -> a pulldown menu appears | ||