LSCALE - the new normalization, scaling and absorption correction program in the Daresbury Laue software suite

Citation
S. Arzt et al., LSCALE - the new normalization, scaling and absorption correction program in the Daresbury Laue software suite, J APPL CRYS, 32, 1999, pp. 554-562
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF APPLIED CRYSTALLOGRAPHY
ISSN journal
00218898 → ACNP
Volume
32
Year of publication
1999
Part
3
Pages
554 - 562
Database
ISI
SICI code
0021-8898(19990601)32:<554:L-TNNS>2.0.ZU;2-F
Abstract
A new program in the Daresbury Laue software suite has been developed for t he scaling and normalization of Laue intensity data, to yield fully correct ed structure amplitudes. Previously available routines have been improved, and additional options for refinement, control and statistical diagnostic o utput provided. A new feature, namely a wavelength- and position-dependent absorption correction that models a two-dimensional surface derived from th e Laue data alone, is discussed in detail; it is tested on simulated and re al data, and the improvement in data quality is demonstrated. The wavelengt h normalization function is now able, when sufficiently redundant experimen tal data are available, to model fine details such as the features arising from the modification of the incident intensity spectrum by a platinum mirr or in the beamline optics A full data set for tetragonal lysozyme is proces sed with the new program, and extensive statistical output is given.