ABSORB-7andABSORB-GUIfor single-crystal absorption corrections

Abstract

ABSORBis 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-GUIhas 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.