ABSORB Menu

4.0 - ABSORB Menu

This is the menu for the absorption correction programs. For most crystals containing elements heavier than the first row transition metals, it is likely that absorption is the single most important contributor to the systematic errors. A correction for absorption is usually required in such circumstances and is mandatory for an Acta Cryst submission. See this page for a detailed comparison of all the methods available in WinGX.

Many of these methods require that the uncorrected reflection file name.HKL contains SHELX-style direction cosines which are consistent with the unit cell found in the name.INS file. The data processing programs XCAD4 and PROFIT provide a facility to write out such direction cosines for CAD4 and Siemens P4 data. The REFDELF programs require that a preliminary model has been obtained and DIFABS-CAD4, XABS2 and SHELXA need a CIF style structure factor file (name.FCF). The only programs which do not need any geometrical information about the crystal orientation or the reflection data are XABS2 and CAMEL JOCKEY.

The corrections are grouped into three kinds, according to the methodology: