Surface sensitivity, reports statistics of the collected data set and Group, the reported results will refer to space group P1.Ĭollects 3-dimensional profiles of all reflections occurring in the dataĬorrects intensities for decay, absorption and variations of detector Initially processed for a crystal with unknown cell constants and space XPLAN reports theĬompleteness of data that could be expected for various starting anglesĪnd total crystal rotation. Typically, one or a few data images areĬollected initially and processed by XDS. Shaded areas, and eliminates regions outside the resolution range Interprets observed spots by a crystal lattice and refines allĭefines the trusted region of the detector, recognizes and removes Each keyword names a subroutine to beĬomputes a table of spatial correction values for each pixelĭetermines an inital background for each detector pixel and finds theĬollects strong diffraction spots from a specified subset of the data The value of JOB= can be ALL (default) or any combination of the NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA=.NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA=.VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS=.In a line to the right of an exclamation mark are comment. Names cannot be abbreviated they are case sensitive, too. Value must follow the parameter name on the same line. Name consists of a string of characters without intervening blanks orĮxclamation marks and includes an equal sign as its last character. The parameters may be given in arbitrary order. This chapter explains the meaning of all parameters used by the XDS (for example XDS-ADSC.INP if data images were recorded by the ADSCĭetector) and renaming the edited file into XDS.INP. Thus, running XDS amounts to just editing aįew parameter values in the selected input file template Parameters are assigned default values that work fine in most cases and They reduce input errors and simplify program usage. File templates (examples) for XDS.INP are availableįor the detectors supported by XDS. All input parameters needed for data processing are collected in theįile named XDS.INP which must reside in the current directory where XDS
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