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A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer experiments

A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer... <h2>Acta Crystallographica</h2><h3></h3><h3>0365-110X</h3> <h2>short communications</h2> Volume 23 Part 6 Pages 1109-1110 December 1967 <h2>A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer experiments</h2> R. C. G. Killean Acta Cryst. (1967). 23, 1109 A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer experiments. By R. C. G. KILLEAN, Department of Physics, The University, St. Andrews, Scotland (Received 1 April 1967 and in revised form 27 June 1967) To obtain data capable of yielding an R factor of 10% the total number of counts per reflexion need not exceed 25, for low background reflexions, rising to 125 for a peak to background ratio of 1-5. An equation required to develop a constant-agreement analysis is derived which is based on a constant-count type experiment. It has been shown (Killean, 1967) that a constant-count, as distinct from a constant-time-per-reflexion diffractometer experiment, has certain advantages. In view of the high capital cost of automatic diffractometers it is relevant to consider what numerical value this constant count should be to achieve a given reliability index and, for the purposes of this paper, an ideal diffractometer experiment in which the errors in the data are due only to http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica International Union of Crystallography

A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer experiments

Acta Crystallographica , Volume 23 (6): 1109 – Dec 10, 1967

A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer experiments

Acta Crystallographica , Volume 23 (6): 1109 – Dec 10, 1967

Abstract

<h2>Acta Crystallographica</h2><h3></h3><h3>0365-110X</h3> <h2>short communications</h2> Volume 23 Part 6 Pages 1109-1110 December 1967 <h2>A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer experiments</h2> R. C. G. Killean Acta Cryst. (1967). 23, 1109 A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer experiments. By R. C. G. KILLEAN, Department of Physics, The University, St. Andrews, Scotland (Received 1 April 1967 and in revised form 27 June 1967) To obtain data capable of yielding an R factor of 10% the total number of counts per reflexion need not exceed 25, for low background reflexions, rising to 125 for a peak to background ratio of 1-5. An equation required to develop a constant-agreement analysis is derived which is based on a constant-count type experiment. It has been shown (Killean, 1967) that a constant-count, as distinct from a constant-time-per-reflexion diffractometer experiment, has certain advantages. In view of the high capital cost of automatic diffractometers it is relevant to consider what numerical value this constant count should be to achieve a given reliability index and, for the purposes of this paper, an ideal diffractometer experiment in which the errors in the data are due only to

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1967 International Union of Crystallography
ISSN
0365-110X
DOI
10.1107/S0365110X67004396
Publisher site
See Article on Publisher Site

Abstract

<h2>Acta Crystallographica</h2><h3></h3><h3>0365-110X</h3> <h2>short communications</h2> Volume 23 Part 6 Pages 1109-1110 December 1967 <h2>A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer experiments</h2> R. C. G. Killean Acta Cryst. (1967). 23, 1109 A note on the a priori estimation of R factors for constant-count-per-reflexion diffractometer experiments. By R. C. G. KILLEAN, Department of Physics, The University, St. Andrews, Scotland (Received 1 April 1967 and in revised form 27 June 1967) To obtain data capable of yielding an R factor of 10% the total number of counts per reflexion need not exceed 25, for low background reflexions, rising to 125 for a peak to background ratio of 1-5. An equation required to develop a constant-agreement analysis is derived which is based on a constant-count type experiment. It has been shown (Killean, 1967) that a constant-count, as distinct from a constant-time-per-reflexion diffractometer experiment, has certain advantages. In view of the high capital cost of automatic diffractometers it is relevant to consider what numerical value this constant count should be to achieve a given reliability index and, for the purposes of this paper, an ideal diffractometer experiment in which the errors in the data are due only to

Journal

Acta CrystallographicaInternational Union of Crystallography

Published: Dec 10, 1967

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