Qualitative Phase Analysis Using an X-Ray Powder Diffractometer

Schreiner, W. N.; Surdukowski, C.; Jenkins, Ron

doi:10.1154/s0376030800007187

Cited by 3 publications

(2 citation statements)

References 4 publications

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“…In order to evaluate the probability-based scoring method, we used the recent round-robin examples (Jenkins & Hubbard, 1979). There problems have been tested by many workers and we ourselves have presented results from some of these elsewhere (Schreiner, Surdukowski & Jenkins, 1980;. Here we present results from a problem taken from the user's guide of the Johnson/Vand search program (Johnson, 1975).…”

Section: Resultsmentioning

confidence: 99%

A probability-based socring technique for phase identification in X-ray powder diffraction

Schreiner¹,

Surdukowski²,

Jenkins³

1982

J Appl Cryst

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A multiphase identification search/match algorithm based on a probability scoring procedure has been designed and implemented as the kernel of the SANDMAN program. The probability distributions associated with the inexactitudes of the line intensities and d spacings (line positions) are discussed. Methods are developed to narrow the widths of the distributions by separating systematic and random errors. The probability-based scoring algorithm is applied to diffractograms exhibiting substantial specimen displacement error, small broad peaks and large lineintensity variations.

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Section: Resultsmentioning

confidence: 99%

A probability-based socring technique for phase identification in X-ray powder diffraction

Schreiner¹,

Surdukowski²,

Jenkins³

1982

J Appl Cryst

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“…The effectiveness of the systematic-error-correction procedure was demonstrated in an example shown +'Nova" is a registered trademark of the Data General Corporation. previously (Schreiner, Surdukowski & Jenkins, 1980). The specimen was a sample of elemental nickel exhibiting a substantial specimen displacement error (250 ~tm).…”

Section: Search Examplesmentioning

confidence: 99%

A new minicomputer search/match/identify program for qualitative phase analysis with the powder diffractometer

Schreiner¹,

Surdukowski²,

Jenkins³

1982

J Appl Cryst

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Several new techniques have been developed for multiphase identification using X-ray powder diffractometry. Among these are (1) automatic correction for common systematic errors, (2) probability-based scoring, (3) window-less searching and matching, and (4) additive phase isolation. These new approaches to old problems are appropriate for implementation on a minicomputer and a program has been written which incorporates them. Results obtained from this work have demonstrated success in solving identification problems under a wide variety of circumstances, many of which were previously considered very difficult for computer algorithms. This paper is the first of two intended to describe the new algorithms and their implementation in the program, SANDMAN.

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Automatically Correcting for Specimen Displacement Error During XRD Search/Match Identification

Schreiner

Jenkins

1981

Adv. x-ray anal.

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Over the past several years there has been considerable interest in computer search/match programs for qualitative analysis of powder diffraction patterns. This interest has been stimulated by the availability of modern minicomputers supported by relatively inexpensive mass storage devices capable of containing the entire JCPDS (l) data base on line. As the traditional search/match algorithms have been reviewed for possible implementation on the slower speed and restricted memory minicomputers being supplied with today's automated diffractometers, new ideas have emerged for such algorithms. One very extensive set of new algorithms has been developed by our group and these are contained in the SANDMAN search/match/identify program which was described at this conference last year (2). Experience has shown those algorithms to be extremely effective, particularly in handling eases where the presence of systematic errors in the data has precluded the correct analysis by other computerised search/match systems.

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Qualitative Phase Analysis Using an X-Ray Powder Diffractometer

Cited by 3 publications

References 4 publications

A probability-based socring technique for phase identification in X-ray powder diffraction

A probability-based socring technique for phase identification in X-ray powder diffraction

A new minicomputer search/match/identify program for qualitative phase analysis with the powder diffractometer

Automatically Correcting for Specimen Displacement Error During XRD Search/Match Identification

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