Xdscc12: Difference between revisions

249 bytes added ,  5 July 2019
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Statistics are given (in resolution shells) for the isomorphous and the anomalous signal.
Statistics are given (in resolution shells) for the isomorphous and the anomalous signal.


Important: to more clearly identify outliers in [[XSCALE]]d data, you may want use the -w option. This can be helpful since the ''a'' and ''b'' parameters of the error model are adjusted by XSCALE such that the sigmas are very high, which reduces the delta-CC<sub>1/2</sub> signal.
To find outlier data sets in [[XSCALE]]d data, you may try the -w option. This can be helpful since the ''a'' and ''b'' parameters of the error model are adjusted by XSCALE such that the sigmas are very high, which may reduce the delta-CC<sub>1/2</sub> signal.


A complete description of how to process serial crystallography data with XDS/XSCALE is given in [[SSX]]. A program that implements the method of [https://doi.org/10.1107/S1399004713025431 Brehm and Diederichs (2014)] and theory of [https://doi.org/10.1107/S2059798317000699 Diederichs (2017)] is [[xscale_isocluster]].
A complete description of how to process serial crystallography data with XDS/XSCALE is given in [[SSX]]. A program that implements the method of [https://doi.org/10.1107/S1399004713025431 Brehm and Diederichs (2014)] and theory of [https://doi.org/10.1107/S2059798317000699 Diederichs (2017)] is [[xscale_isocluster]].
To remove bad frames from a XDS_ASCII.HKL file, you can use the program [[exclude_data_range_from_XDS_ASCII.HKL]], or re-INTEGRATE with the keyword [http://xds.mpimf-heidelberg.mpg.de/html_doc/xds_parameters.html#EXCLUDE_DATA_RANGE= EXCLUDE_DATA_RANGE] in [[XDS.INP]].


== Correlation against a reference data set (-r <reference> option) ==
== Correlation against a reference data set (-r <reference> option) ==
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