nXSCALE: Input Parameters

All input parameters needed for combining several streams of snapshot data (file type INTEGRATE.HKL as obtained from the INTEGRATE step of nXDS) into the final set of fully corrected integrated reflection intensities are collected in the file named nXSCALE.INP. This file must reside in the current directory where nXSCALE will be invoked. To simplify the task of preparing the input file, a file template for nXSCALE.INP is included in the nXDS package and can easily be edited according to the actual case.

Each input parameter consists of a name and a value. The parameter name is always a string of characters without intervening blanks or exclamation marks and includes an equal sign as its last character. The parameter value must follow the parameter name on the same line. The parameter names cannot be abbreviated; they are case sensitive, too. More than one input parameter may be specified in the same line in nXSCALE.INP except for parameters denoting file names (INPUT_FILE=, OUTPUT_FILE=, LONG_OUTPUT_FILE=, REFERENCE_DATA_SET=). Characters in a line to the right of an exclamation mark are comment.

The input parameters may be given in arbitrary order - except for the parameters defining polarization for each input reflection file. It is mandatory that each input file must be followed by the two parameters specifying polarization ( FRACTION_OF_POLARIZATION=, POLARIZATION_PLANE_NORMAL=) for this file. Also, specific control of post-refinement by the input parameter REFINE_SEGMENT= refers to the last previously mentioned segment (parameter SEGMENT=).

The following parameters can be specified in nXSCALE.INP.

Data sets for scaling


Criteria for accepting images

Criteria for accepting reflections

Intensity correction factors


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page last updated: Mar 9, 2019