caa a22 4500 378912607 CHVBK 20180305123545.0 cr unu---uuuuu 161128e20041201xx s 000 0 eng 10.1524/zkri.219.12.791.55857 doi (NATIONALLICENCE)gruyter-10.1524/zkri.219.12.791.55857 Wright Jon P. Extraction and use of correlated integrated intensities with powder diffraction data [Elektronische Daten] [Jon P. Wright] The transformation of a powder diffraction profile into a set of correlated integrated intensities allows crystallographic calculations to be performed without modelling raw diffractometer counts. By carrying out this transformation it is possible to preserve the information about peak overlap without needing to retain the multitude of experimental details and description of the peak shape function. An implementation is described which allows problems of significant size to be tackled. Least squares refinement, issues of data quality and the generation and importance of free R-factors are discussed. © 2004 Oldenbourg Wissenschaftsverlag GmbH Crystallography nationallicence Inorganic chemistry nationallicence Organic chemistry nationallicence Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/12(2004-12-01), 791-802 2194-4946 219:12<791 2004 219 zkri https://doi.org/10.1524/zkri.219.12.791.55857 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zkri.219.12.791.55857 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Wright Jon P. NATIONALLICENCE 773 0- Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/12(2004-12-01), 791-802 2194-4946 219:12<791 2004 219 zkri CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter