SDPD activity

Trends in SDPD Activity

If indexing does not always lead to a full SDPD, it is generally the first step. Hence the idea to estimate the increase in SDPD activity by looking at the citation numbers of papers corresponding to the 3 most used indexing software : ITO, TREOR and DICVOL.

Structure factor amplitude extraction is not the only way for performing an SDPD (alternative is the fit in direct space), however, it still represents the vast majority. Citation numbers of papers corresponding to the Pawley and Le Bail method are expected to give also the tendencies in SDPD activity, if any.

The fact is that SDPD activity is varying more linearly than exponentially...

Indexing
Extracting "|Fobs|"
Selected papers in powder diffraction
Special methods

Armel Le Bail - April 2001

Indexing powder patterns

VISSER JW - A FULLY AUTOMATIC PROGRAM FOR FINDING THE UNIT CELL FROM POWDER DATA - JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1969, Vol 2, pp 89-95
WERNER, PE; ERIKSSON, L; WESTDAHL, M - TREOR, A SEMI-EXHAUSTIVE TRIAL-AND-ERROR POWDER INDEXING PROGRAM FOR ALL SYMMETRIES - JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1985, Vol 18, pp 367-370
BOULTIF, A; LOUER, D - INDEXING OF POWDER DIFFRACTION PATTERNS FOR LOW-SYMMETRY LATTICES BY THE SUCCESSIVE DICHOTOMY METHOD JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1991, Vol 24, pp 987-993

Extracting structure factor amplitudes

LEBAIL A; DUROY H; FOURQUET JL - ABINITIO STRUCTURE DETERMINATION OF LISBWO6 BY X-RAY-POWDER DIFFRACTION -MATERIALS RESEARCH BULLETIN 1988, Vol 23, Iss 3, pp 447-452

PAWLEY GS - UNIT-CELL REFINEMENT FROM POWDER DIFFRACTION SCANS - JOURNAL OF APPLIED CRYSTALLOGRAPHY 1981, Vol 14, pp 357-361

Altomare, A; Burla, MC; Cascarano, G; Giacovazzo, G; Guagliardi, A; Moliterni, AGG; Polidori, G - EXTRA: A program for extracting structure factor amplitudes from powder diffraction data. - JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1995, Vol 28, pp 842-846

JANSEN, J; PESCHAR, R; SCHENK, H - ON THE DETERMINATION OF ACCURATE INTENSITIES FROM POWDER DIFFRACTION DATA .1. WHOLE-PATTERN FITTING WITH A LEAST-SQUARES PROCEDURE - JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1992, Vol 25, pp 231-236

SIVIA DS; DAVID WIF - A BAYESIAN-APPROACH TO EXTRACTING STRUCTURE-FACTOR AMPLITUDES FROM POWDER DIFFRACTION DATA - ACTA CRYSTALLOGRAPHICA SECTION A 1994, Vol 50, pp 703-714

Sponsored by the SDPD Internet Course

LEBAIL A; DUROY H; FOURQUET JL - ABINITIO STRUCTURE DETERMINATION OF LISBWO6 BY X-RAY-POWDER DIFFRACTION -MATERIALS RESEARCH BULLETIN 1988, Vol 23, Iss 3, pp 447-452
PAWLEY GS - UNIT-CELL REFINEMENT FROM POWDER DIFFRACTION SCANS - JOURNAL OF APPLIED CRYSTALLOGRAPHY 1981, Vol 14, pp 357-361
Altomare, A; Burla, MC; Cascarano, G; Giacovazzo, G; Guagliardi, A; Moliterni, AGG; Polidori, G - EXTRA: A program for extracting structure factor amplitudes from powder diffraction data. - JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1995, Vol 28, pp 842-846
JANSEN, J; PESCHAR, R; SCHENK, H - ON THE DETERMINATION OF ACCURATE INTENSITIES FROM POWDER DIFFRACTION DATA .1. WHOLE-PATTERN FITTING WITH A LEAST-SQUARES PROCEDURE - JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1992, Vol 25, pp 231-236
SIVIA DS; DAVID WIF - A BAYESIAN-APPROACH TO EXTRACTING STRUCTURE-FACTOR AMPLITUDES FROM POWDER DIFFRACTION DATA - ACTA CRYSTALLOGRAPHICA SECTION A 1994, Vol 50, pp 703-714