Programs for the management and processing of neutron diffraction data

Abstract

This report describes the programs developed over about five years at Lucas Heights for the processing of crystallographic data from manual and computer-controlled diffractometers. The description, theory, and input and output formats are given, but not the program listings. Sections 2 and 3 describe the programs for handling, editing and reducing the 5-hole tape produced by manually-operated machines. Section 4 describes the revised versions of the programs associated with the computer-controlled diffractometers. It replaces the previous report AAEC-E-191 as an operating manual for these instruments. Section 5 describes the programs for sorting, absorption-correcting and evaluating standard deviations. Section 6 describes the Job-Control procedures.