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Title: Calibration of X-Ray diffractometer by the experimental comparison method

A software for calibrating an X-ray diffractometer with area detector has been developed. It is proposed to search for detector and goniometer calibration models whose parameters are reproduced in a series of measurements on a reference crystal. Reference (standard) crystals are prepared during the investigation; they should provide the agreement of structural models in repeated analyses. The technique developed has been used to calibrate Xcalibur Sapphire and Eos, Gemini Ruby (Agilent) and Apex x8 and Apex Duo (Bruker) diffractometers. The main conclusions are as follows: the calibration maps are stable for several years and can be used to improve structural results, verified CCD detectors exhibit significant inhomogeneity of the efficiency (response) function, and a Bruker goniometer introduces smaller distortions than an Agilent goniometer.
Authors:
 [1]
  1. Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
Publication Date:
OSTI Identifier:
22472233
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 60; Journal Issue: 4; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CALIBRATION; CHARGE-COUPLED DEVICES; COMPARATIVE EVALUATIONS; COMPUTER CODES; CRYSTALS; EFFICIENCY; GONIOMETERS; RESPONSE FUNCTIONS; RUBY; SAPPHIRE; STRUCTURAL MODELS; X-RAY DIFFRACTOMETERS