Published March 1997 | Version v1
Journal article

PROFIT computer program for processing powder diffraction data on an IBM PC with a graphic user interface

  • 1. Karpov Research Institute of Physical Chemistry, Russian State Scientific Center, ul. Obukha 10, Moscow, 103064 (Russian Federation)

Description

The PROFIT computer program for processing powder diffraction data on an IBM PC compatible computers is described. The program allows the resolution of multiples consisting of up to 20 overlapping reflections, each of them possibly being a doublet. The diffraction pattern (or any part of it) containing up to 10,000 experimental points can be analyzed. The line profiles are approximated by the asymmetric Pearson or pseudo-Voigt functions, as well as by an asymmetric pseudo-Voigt function with independent parameters of the Gauss and Lorentz components (the latter allows one to study samples with nonunimodal distributions of crystallite dimensions). The program provides possibilities for imposing various constraints on the parameters of individual reflections and separating the peaks into several groups, which is important for analyzing the diffraction patterns from multicomponent systems. The newly developed user interface is completely graphic and allows processing of all the data on one screen

Additional details

Publishing Information

Journal Title
Crystallography Reports
Journal Volume
42
Journal Issue
2
Journal Page Range
p. 202-206
ISSN
1063-7745
CODEN
CYSTE3

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
35073749
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S46: INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY;
Resource subtype / Literary indicator
Translation
Descriptors DEI
COMPUTER CODES; COMPUTERS; CRYSTALLOGRAPHY; DATA PROCESSING; FUNCTIONS; POWDERS; X-RAY DIFFRACTION
Descriptors DEC
COHERENT SCATTERING; DIFFRACTION; PROCESSING; SCATTERING

Optional Information

Notes
Translated from Kristallografiya, ISSN 0023-4761, 42, 239-243 (March-April 1997); (c) 1997 MAIK/Interperiodika