R-VALUES IN ANALYSIS OF POWDER DIFFRACTION DATA USING RIETVELD REFINEMENT

被引：117

作者：

JANSEN, E

SCHAFER, W

WILL, G

机构：

[1] Bonn Univ, Bonn

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1994年 / 27卷

关键词：

D O I：

10.1107/S0021889893012348

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Profile and Bragg R values are discussed with respect to different versions of the Rietveld program. The R values calculated from an exemplary neutron diffraction pattern are compared. Results obtained by a modified treatment of background and by a simplified method to decompose an observed pattern into Bragg intensities are presented.

引用

收藏

页码：492 / 496

页数：5

相关论文

共 21 条

[11] A PROFILE REFINEMENT METHOD FOR NUCLEAR AND MAGNETIC STRUCTURES [J].

RIETVELD, HM .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1969, 2 :65-&

[12]

RIETVELD HM, 1969, 104 REACT CENTR NED

[13] THE HARWELL TAILS COMPUTER-PROGRAM [J].

ROUSE, KD ;

COOPER, MJ .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1981, 14 (FEB) :72-74

[14] ANALYSIS OF THE RIETVELD PROFILE REFINEMENT METHOD [J].

SAKATA, M ;

COOPER, MJ .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1979, 12 (DEC) :554-563

[15] THE ESTIMATION OF STANDARD DEVIATIONS IN POWDER DIFFRACTION RIETVELD REFINEMENTS [J].

SCOTT, HG .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1983, 16 (APR) :159-163

[16] A COMPARISON OF PROFILE DECOMPOSITION AND RIETVELD METHODS FOR STRUCTURAL REFINEMENT WITH POWDER DIFFRACTION DATA [J].

TAYLOR, JC .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1987, 181 (1-4) :151-160

[17] WHOLE-POWDER-PATTERN FITTING WITHOUT REFERENCE TO A STRUCTURAL MODEL - APPLICATION TO X-RAY-POWDER DIFFRACTOMETER DATA [J].

TORAYA, H .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1986, 19 :440-447

[18] CRYSTAL-STRUCTURE ANALYSIS FROM POWDER DIFFRACTION DATA [J].

WILL, G .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1989, 188 (3-4) :169-186

[19] POWLS - POWDER LEAST-SQUARES PROGRAM [J].

WILL, G .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1979, 12 (OCT) :483-485

[20]

WILL G, 1983, POWLS 80 PROGRAM CAL