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LAPODS : a computer program for refinement of lattice parameters using optimal regression
Author(s) -
Dong Cheng,
Langford J. I.
Publication year - 2000
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/s0021889800006622
Subject(s) - limiting , computer science , lattice (music) , transparency (behavior) , computer program , algorithm , singular value decomposition , set (abstract data type) , regression , mathematics , statistics , physics , programming language , mechanical engineering , engineering , computer security , acoustics
LAPODS is an upgraded version of the program LAPOD for the refinement of lattice parameters using the method of Cohen [Langford (1971). J. Appl. Cryst. 4 , 259–260]. The improved version has a number of advanced features. It can detect the most significant systematic errors automatically by means of a statistical F test; it can also operate in a manual mode with corrections set by the user or input manually. The single‐value decomposition (SVD) method is used so that the refinement is now more stable. The general formula to calculate the specimen‐transparency error has been incorporated and a transparency correction can now be made when the absorption is intermediate between the limiting cases of `thick' or `thin' samples.