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XDSGUI: Difference between revisions
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After finally moving to the XDS.INP tab, XDS may be run by clicking a button. The resulting output files from XDS will then be displayed in the next tabs. | After finally moving to the XDS.INP tab, XDS may be run by clicking a button. The resulting output files from XDS will then be displayed in the next tabs. | ||
After finishing this first round of processing, the TOOLS tab may be used | After finishing this first round of processing, the TOOLS tab may be used, which - among other things - offers those three options that I found most useful to optimize the data processing. After choosing (by mouse click) one of these three options, the user should go back to the XDS.INP tab, specify JOBS=DEFPIX INTEGRATE CORRECT, and run XDS again. Ideally, each of the three options should be tried separately, and its effect should be compared with the previous processing to verify that it really improved the processed data - use [[ISa]] to decide whether the processing has improved! Those options that improve ISa can then be used in combination. | ||
After CORRECT, the data may be analyzed with XDSSTAT and the resulting XDS_ASCII.HKL may be converted to e.g. MTZ, using the XDSCONV tab. | |||
== Tabs == | == Tabs == | ||