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XDSGUI: Difference between revisions
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this shows the current [[XDS.INP]] file. Coloured items correspond to the circles of the Frame tab. Changes can be made with the simple editor, and the new version can be saved. A run of xds_par can be started (and killed). | this shows the current [[XDS.INP]] file. Coloured items correspond to the circles of the Frame tab. Changes can be made with the simple editor, and the new version can be saved. A run of xds_par can be started (and killed). | ||
== XYCORR == | == Output from XDS == | ||
=== XYCORR === | |||
shows XYCORR.LP | shows XYCORR.LP | ||
== INIT == | === INIT === | ||
shows INIT.LP | shows INIT.LP | ||
== COLSPOT == | === COLSPOT === | ||
shows COLSPOT.LP | shows COLSPOT.LP | ||
== IDXREF == | === IDXREF === | ||
shows IDXREF.LP | shows IDXREF.LP | ||
== DEFPIX == | === DEFPIX === | ||
shows DEFPIX.LP | shows DEFPIX.LP | ||
== INTEGRATE == | === INTEGRATE === | ||
shows INTEGRATE.LP on the left side. During the INTEGRATE step, the temporary files are displayed. On the right side, plots of the tabular quantities given for each frame, or for each batch of data are shown. For the refined quantities, only the changes are plotted. | shows INTEGRATE.LP on the left side. During the INTEGRATE step, the temporary files are displayed. On the right side, plots of the tabular quantities given for each frame, or for each batch of data are shown. For the refined quantities, only the changes are plotted. | ||
== CORRECT == | === CORRECT === | ||
shows [[CORRECT.LP]] on the left, and plots of tabular quantities on the right. The upper line in the I/sigma plot gives <math>{I/Sigma(I)}^{asymptotic}</math> ([Diederichs, Acta Cryst. (2010). D66, 733-740 http://dx.doi.org/10.1107/S0907444910014836]). The three lines in the Chi^2 plot are the Chi^2 values obtained during scaling, for the ABSORP, MODPIX and DECAY corrections, respectively. | shows [[CORRECT.LP]] on the left, and plots of tabular quantities on the right. The upper line in the I/sigma plot gives <math>{I/Sigma(I)}^{asymptotic}</math> ([Diederichs, Acta Cryst. (2010). D66, 733-740 http://dx.doi.org/10.1107/S0907444910014836]). The three lines in the Chi^2 plot are the Chi^2 values obtained during scaling, for the ABSORP, MODPIX and DECAY corrections, respectively. | ||
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The current version of the program can be downloaded from https://www.dropbox.com/sh/i569reo9ldzkpom/IIRU4Xwesc | The current version of the program can be downloaded from https://www.dropbox.com/sh/i569reo9ldzkpom/IIRU4Xwesc | ||
== Dependencies == | |||
The program depends on the availability of [[generate_XDS.INP]], [[XDS-viewer]], and of course [[xds|xds_par]], [[xds]], [[xdsconv]], and [[xscale]]. | |||