EXTRA: A program for extracting structure factor amplitudes from powder diffraction data.

被引：267

作者：

Altomare, A ^{[1
]}

Burla, MC ^{[1
]}

Cascarano, G ^{[1
]}

Giacovazzo, G ^{[1
]}

Guagliardi, A ^{[1
]}

Moliterni, AGG ^{[1
]}

Polidori, G ^{[1
]}

机构：

[1] UNIV PERUGIA,DIPARTIMENTO SCI TERRA,I-06100 PERUGIA,ITALY

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1995年 / 28卷

关键词：

D O I：

10.1107/S0021889895005619

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Extraction of structure-factor amplitudes from a powder diffraction pattern is not a straightforward procedure. Peak overlapping and background estimation are the main obstacles to the process: they may introduce strong correlations among reflection intensities and heavy errors in their estimates. The program EXTRA is described, which, on the basis of the Le Bail algorithm, is able reliably to estimate the structure-factor amplitudes in a fully automatic way.

引用

页码：842 / 846

页数：5

共 31 条

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