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Xdscc12

57 bytes added, 14:27, 24 September 2019
nbin for SSX
Statistics are given (in resolution shells) for the isomorphous and the anomalous signal.
To find outlier data sets in [[XSCALE]]d data, you may try out about the -w option. This can be helpful since influence of the ''a'' and ''b'' parameters of the XDS/XSCALE-adjusted error model are adjusted by XSCALE such that the sigmas are very high, which you may reduce try the delta-CC<sub>1/2</sub> signalw option; this assigns the same sigma to all reflections.
A complete description of how to process serial crystallography data with XDS/XSCALE is given in [[SSX]]. In case of SSX data (which typically have few reflections per data set, compared with complete data sets), we typically use nbin of 1. 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]].
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