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A Second Derivative Algorithm for Identification of Peaks in Powder Diffraction Patterns

Published online by Cambridge University Press:  06 March 2019

W. N. Schreiner
Affiliation:
Philips Laboratories, Briarcliff Manor, NY
Ron Jenkins
Affiliation:
Philips Electronic Instruments, Mahwah, NJ
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Extract

Modern (>1950) data analysis techniques are commonly applied in many scientific fields but their careful application in other fields, including X-Ray diffraction, has been notably lacking or generally confined to the environment of university research. Perhaps this lack of widespread application in XRD can be blamed on the absence of sophisticated computer controlled instrumentation, and, if this is so, the situation should change rapidly, since today's automated diffractometers are driven by very powerful minicomputers with large firm disks and sophisticated operating systems. In such an environment it is entirely practical to implement, on-line, state-of- the-art data analysis techniques, and in this paper we present one such example.

Type
Use of Computers in Powder Diffraction
Copyright
Copyright © International Centre for Diffraction Data 1979

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References

1. A random selection of books and articles found in our library yielded the following examples:Google Scholar
NMR - “Magnetic Resonance Spectroscopy”, Hecht (1966) J. Wiley.Google Scholar
IR,ED - “Molecular Structures and Vibrations”, Sven, S. J. (1972) ElsevierGoogle Scholar
γ-Spect - “Computer Program for Multicomponent Spectral Analysis Using Least Squares”, J. Blackburn Anal.Chem. 37, 1000(J1.1965).Google Scholar
2. “Optical Disc Replaces 25 Magnetic Disks”, Kenney, Lou, McFarlane Chan, Hadan, Kohler, Wagner, Zernike, IEEE Spectrum (Fb.1979)Google Scholar