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XDSGUI: Difference between revisions
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The border between the left and right side of the window may be adjusted with the mouse.<br> | The border between the left and right side of the window may be adjusted with the mouse.<br> | ||
=== | === tools === | ||
offers possibilities for running short scripts. | offers possibilities for running short scripts. | ||
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phenix.xtriage XDS_ASCII.HKL | phenix.xtriage XDS_ASCII.HKL | ||
=== | === statistics === | ||
This tab allows to run [[XDSSTAT]] with a mouseclick. As soon as XDSSTAT.LP exists, the main plots derived from it are displayed. | This tab allows to run [[XDSSTAT]] and [[XDSCC12]] with a mouseclick. | ||
As soon as XDSSTAT.LP exists, the main plots derived from it are displayed (second and further panes). The "view" button allows to run [[XDS-viewer]] to visualize the control images that XDSSTAT generates, namely anom.pck, scales.pck, rf.pck, misfits.pck, corr.pck, rlps.pck, peaks.pck and nobs.pck . | |||
Likewise, as soon as the output file XDSCC12.LP exists, a plot derived from those lines starting with "a:" and "b:" will be generated. In black, this shows the overall contribution of a frame, or of several frames pooled, to the CC<sub>1/2</sub> value of those reflections that this frame (or these frames) contributes to. The rainbow-coloured curves divide the total resolution range into a user-selectable number (chosen with the -nbin option of XDSCC12) of resolution ranges; blue is low resolution and red is high resolution. | |||
Fine-sliced frames (0.1°) can be pooled into 1°-pseudoframes by using the -t option, to increase the number of reflections contributing to the plot and to make it less noisy. | |||
=== XDSCONV === | === XDSCONV === | ||
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=== Dependencies === | === Dependencies === | ||
XDSGUI depends on [[generate_XDS.INP]], [[XDS-viewer]], and of course [[XDS]] (both the xds and xds_par binaries!), [[XDSCONV]], and [[2cbf]]. The | XDSGUI depends on [[generate_XDS.INP]], [[XDS-viewer]], and of course [[XDS]] (both the xds and xds_par binaries!), [[XDSCONV]], and [[2cbf]]. The <code>statistics</code> tab requires [[XDSSTAT]] and [[XDSCC12]]. One of the items in the <code>tools</code> tab calls a graphical file comparison program; if the default (xdiff) is not available, [http://furius.ca/xxdiff xxdiff] or [http://sourceforge.net/projects/tkdiff tkdiff] or [http://kdiff3.sourceforge.net/ kdiff3] or [http://meldmerge.org/ meld] may be used - please adjust the commandline below the button accordingly. See also [[Installation]]. | ||
Technically, the word "dependency" means that these scripts/programs should be in your $PATH - an 'alias' is often not good enough because the TOOLS commands use bash as a shell, and that shell does not inherit the aliases from e.g. (t)csh. | Technically, the word "dependency" means that these scripts/programs should be in your $PATH - an 'alias' is often not good enough because the TOOLS commands use bash as a shell, and that shell does not inherit the aliases from e.g. (t)csh. | ||
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update Sep 17, 2015: belatedly updated xdsgui.rhel6.* - this version correctly visualizes the tables of INTEGRATE.LP which have a different format since XDS version June-2015 | update Sep 17, 2015: belatedly updated xdsgui.rhel6.* - this version correctly visualizes the tables of INTEGRATE.LP which have a different format since XDS version June-2015 | ||
update May 20, 2016: many bug fixes, rename XDSSTAT tab to <code>statistics</code> tab, include delta-CC<sub>1/2</sub> plot. | |||
== See also == | == See also == | ||
[[Installation]] | [[Installation]] | ||