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INDEX, A Program to Reconcile Powder Diffractograms
Published online by Cambridge University Press: 06 March 2019
Abstract
This paper describes an interactive computer program, INDEX, which was written at Philips Laboratories as part of the software development effort for the APD 3600: Automated Powder Diffractometer. This program reconciles the differences between calculated and observed powder diffractogram “d-spacings” by unit cell parameters refinement and/or correction of observed lines for “significant“ systematic errors. The reconciliation procedures, described below, yield a set of residual differences which may be due to x-ray photon statistics, random gear imperfections, or minor instrumental aberrations. Lattice parameters accuracies of 4-5 parts per 104 can b e obtained routinely on powder diffractometers when systematic effects have been taken into account. The interactive nature of INDEX permits intervention at critical stages where it is most beneficial with a minimal number of keystrokes.
Information
- Type
- VI. XRD Search/Match Procedures and Automation
- Information
- Copyright
- Copyright © International Centre for Diffraction Data 1981
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