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TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries

Journal of Applied Crystallography · 1985 · Vol. 18(5) · pp. 367–370

P.‐E. Werner✉Lars ErikssonMarianne Westdahl

Abstract

An indexing program, TREOR, mainly based on trial-and-error methods is described. The program contains separate routines for cubic, tetragonal, hexagonal, orthorhombic, monoclinic and triclinic symmetries. Ten years usage has been analysed to improve the original program. For monoclinic indexing a specific short-axis test has been developed. The over-all success rate of the program has been found to be better than 90%, and considerably more for orthorhombic and higher symmetries.

X-ray Diffraction in Crystallography Crystallography and molecular interactions Crystallization and Solubility StudiesMonoclinic crystal systemTriclinic crystal systemOrthorhombic crystal systemSearch engine indexingTetragonal crystal systemHomogeneous spaceHexagonal crystal systemCrystallographyComputer scienceMathematics

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