Hostname: page-component-89b8bd64d-r6c6k Total loading time: 0 Render date: 2026-05-07T10:39:24.238Z Has data issue: false hasContentIssue false
  • English
  • Français

farhan—a qualitative and quantitative PC program for X-ray powder diffraction

Published online by Cambridge University Press:  10 January 2013

Khalid A. AL-Farhan
Khalid A. AL-Farhan
Affiliation:
Chemistry Department, College of Science, King Saud University, Riyadh 11451, P.O. Box 2455, Saudi Arabia
Get access

Abstract

FARHAN is a PC interactive, graphically oriented search–match–identification–quantification computer program for X-ray powder diffraction, which uses a variable intensity-error window (IEW). Both the intensity scale factor and the IEW for each standard phase are estimated by a simple iterative procedure. A new tunable combined figure-of-merit (agreement function) is suggested for estimating the goodness-of-fit of matches. The concentrations of the identified phases may be determined by normalized or generalized RIR quantification methods, if the RIRs of the identified phases are known.

Keywords

X-ray powder programsearch-matchphase identificationphase quantification

Information

Type
Research Article
Information
Powder Diffraction , Volume 14 , Issue 1 , March 1999 , pp. 16 - 21
Copyright
Copyright © Cambridge University Press 1999

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Article purchase

Temporarily unavailable

References

Brandt, C., Rozendaal, H., Blaffert, T., and Bates, S. (1991). “Automated multicomponent phase identification using fuzzy sets and inverted data base search,” Mater. Sci. Forum 79–82, 35–40.CrossRefGoogle Scholar
Caussins, P., Nusinovici, J., and Beard, D. (1988). “Using digitized X-ray powder diffraction scans as input for a new PC-AT search/match program,” Adv. X-Ray Anal. 31, 423–430.Google Scholar
Chung, F. (1974a). “Quantitative interpretation of X-ray diffraction patterns of mixtures. I. Matrix-flushing method for quantitative multicomponent analysis,” J. Appl. Crystallogr. 7, 519–525.CrossRefGoogle Scholar
Chung, F. (1974b). “Quantitative interpretation of X-ray diffraction patterns of mixtures. II. Adiabatic principle of X-ray diffraction analysis of mixtures,” J. Appl. Crystallogr. 7, 526–531.CrossRefGoogle Scholar
Frevel, L. (1965). “Computational aids for identifying crystalline phases by powder diffraction,” Anal. Chem. 37, 471–482.CrossRefGoogle Scholar
Frevel, L. (1976). “Quantitative matching of powder diffraction patterns,” Adv. X-Ray Anal. 20, 15–25.Google Scholar
Frevel, L., and Adams, C. (1968). “Quantitative comparison of powder diffraction patterns,” Anal. Chem. 40, 1335–1340.CrossRefGoogle Scholar
Frevel, L., Adams, C., and Ruhberg, L. (1976). “A fast search-match program for powder diffraction analysis,” J. Appl. Crystallogr. 9, 199–204.CrossRefGoogle Scholar
Goehner, R., and Garbauskas, M. (1984). “PDIDENT—A set of programs for powder diffraction phase identification,” X-Ray Spectrom. 13.4, 172–179.CrossRefGoogle Scholar
Huang, T., and Parrish, W. (1982). “A new computer algorithm for qualitative X-ray powder diffraction analysis,” Adv. X-Ray Anal. 25, 213–219.Google Scholar
Jenkins, R., and Maguire, T. (1996). Using the powder diffraction file (ICDD).Google Scholar
Jenkins, R., and Snyder, R. (1996). Introduction to X-ray Powder Diffractometry (Wiley, New York).CrossRefGoogle Scholar
Jobst, B., and Göbel, H. (1982). “IDENT—A versatile microfile-based system for fast interactive XRPD phase analysis,” Adv. X-Ray Anal. 25, 273–282.Google Scholar
Johnson, G., and Vand, V. (1967). “A computerized powder diffraction identification system,” Ind. Eng. Chem. 59, 19–31.CrossRefGoogle Scholar
Marquart, R. (1986). “μPDSM: Mainframe search/match on an IBM PC,” Powder Diffr. 1, 34–39.CrossRefGoogle Scholar
Marquart, R., Milne, G., Heller, S., Johnson, G., and Jenkins, R. (1979). “A search–match system for X-ray powder diffraction data,” J. Appl. Crystallogr. 12, 629–634.CrossRefGoogle Scholar
Nichols, M. (1966). “A FORTRAN II program for the identification of X-ray powder diffraction patterns,” Lawrence Livermore Lab., UCRL-70078.Google Scholar
O’Connor, B., and Bagliani, F. (1976). “A semi-automated system for identifying crystalline materials with powder diffraction data,” J. Appl. Crystallogr. 9, 419–423.CrossRefGoogle Scholar
O’Connor, B., and Chang, W. (1984). “A procedure for search/match analysis of X-ray powder diffraction patterns using compact data bases,” J. Appl. Crystallogr. 17, 212–214.CrossRefGoogle Scholar
Schreiner, W., Surdukowski, C., and Jenkins, R. (1982). “A new minicomputer search/match/identify program for qualitative phase analysis with the powder diffractometer,” J. Appl. Crystallogr. 15, 513–523.CrossRefGoogle Scholar
Tian-Hui, L., Sai-Zhu, Z., Li-Jun, C., and Xin-Xing, C. (1983). “An improved program for searching and matching of X-ray powder diffraction patterns,” J. Appl. Crystallogr. 16, 150–154.CrossRefGoogle Scholar
Toby, B., Harlow, R., and Holomany, M. (1990). “The POWDER SUITE: Computer programs for searching and accessing the JCPDS-ICDD powder diffraction database,” Powder Diffr. 5, 2–7.CrossRefGoogle Scholar