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LOCSCL : a program to statistically optimize local scaling of single‐isomorphous‐replacement and single‐wavelength‐anomalous‐scattering data
Author(s) -
Blessing R. H.
Publication year - 1997
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889896013210
Subject(s) - scaling , weighting , scattering , anisotropy , anomalous scattering , wavelength , reciprocal , scale (ratio) , optics , lattice (music) , physics , statistical physics , mathematics , computational physics , geometry , quantum mechanics , linguistics , philosophy , acoustics
A new stand‐alone program, LOCSCL , for anisotropic local scaling of single‐isomorphous‐replacement or single‐wavelength‐anomalous‐scattering pairs of data sets is described. The program features statistical weighting of the least‐squares fit of the scale factors, statistical optimization of the size of the local blocks of reciprocal‐lattice points used for the fitting, and propagation of the scaling‐error estimates for both | F | and | E | data.