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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 - manual 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 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 - manual 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 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 shown in the XDS.INP tab. | 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 shown in the XDS.INP tab. Step-by-step: | ||
* "Load" a raw frame or FRAME.cbf | |||
* if XDS.INP does not yet exist, click "generate XDS.INP". 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, MarCCD and some Rigaku detectors; for other kinds of detectors the values marked XXX have to be filled in manually. | |||
* left-click on "Untrusted areas" -> a pulldown menu appears | |||
* left-click on (say) "Untrusted Rectangle (2 clicks)" | |||
* move mouse pointer to one corner of desired rectangle and right-click. | |||
* move mouse pointer (... a changing rectangle appears ...) to opposite corner and right-click: the rectangle is now fixed, and teh UNTRUSTED_RECTANGLE keyword together with its parameters appears in XDS.INP tab, in red letters (you do not have to activate the XDS.INP tab to check it, but of course you could). | |||
* with two more right-clicks you get another rectangle, and so on | |||
* you can choose "Untrusted Ellipse (2 clicks)" or "Untrusted Quadrilateral (4 clicks)" and these work in exactly the same way | |||
Unfortunately this interactive mode of establishing untrusted areas does not currently work well over a ssh (or NXclient) connection, probably because the lines/circles are re-drawn at high frequency. So it is recommended to run the program locally. | |||
=== XDS.INP === | === XDS.INP === | ||