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ABSORB‐7 and ABSORB‐GUI for single‐crystal absorption corrections
Author(s) -
Angel Ross,
GonzalezPlatas Javier
Publication year - 2013
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/s0021889812048431
Subject(s) - diffractometer , absorption (acoustics) , flexibility (engineering) , software , detector , optics , crystal (programming language) , diffraction , computer science , synchrotron , intensity (physics) , sample (material) , computational physics , materials science , physics , operating system , mathematics , scanning electron microscope , statistics , thermodynamics , programming language
ABSORB is a program to calculate and apply absorption corrections to single‐crystal X‐ray intensity data from any source, any detector type and any instrument configuration. A new version, ABSORB‐7 , contains several significant new features. ABSORB‐GUI has been developed to allow much easier specification of standard experiments and to enable experimental information to be imported from diffractometer software. The program that calculates the absorption calculations has been reconfigured to allow it to be called directly from other commercial and non‐commercial software packages. In addition, a number of new features have been introduced to allow more flexibility in the way the experimental configuration is described and to correct synchrotron diffraction data collected with beams smaller than the sample crystal.