Shelx citation
WebAug 5, 2014 · The positions of non-hydrogen atoms were determined by direct methods (SHELXT version 2014/5 [72] for 1 and 3; SHELXS version 2013/1 [73] for 2) and … WebTo use the SHELX suite of programs (SHELXD, SHELXE, SHELXL or SHELXS) it is necessary to prepare two input files: foo.ins containing information about the cell, symmetry and some parameters to control the SHELX run, and foo.hkl containing a reflection list. The foo.hkl file may contain intensities (HKLF 4) or amplitudes (HKLF 3).
Shelx citation
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WebMar 24, 1998 · Although SHELX was originally intended only for small molecules, improvements in computing performance and data collection methods have led to increased use of SHELX for macromolecules, especially the location of heavy atoms from isomorphous and anomalous difference data using SHELXS, and the refinement of … http://www.csb.yale.edu/userguides/datamanip/shelx/shelx.htm
WebJan 1, 2024 · Manual editing of the chalcogen sites to accommodate a single Se atom split over the two sites gave a model that refined smoothly using SHELXL (Sheldrick, 2015b), giving a disordered Se occupancy ratio of 0.526 (2):0.474 (2) (Fig. 2 a).The P=Se distances were 2.063 (2) and 2.035 (2) Å, and the model converged to an R 1 value of 0.0494. WebDie Verbindung enthält mehr als 1000 unabhängige Atome und ist damit die größte „Equal-Atom“-Struktur, die mit direkten Ab-initio-Methoden gelöst wurde. “ A short history …
Webgeneral literature citation whenever any of the SHELX programs were used. The paper has since received no fewer than 38,000 citations making it the highest-ranked paper … Webserve as a general literature citation when one or more of the open-source SHELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure …
Webprocessed in this way for publication, and the anonymous donor does not wish to be cited in this non-existent publication since it would ruin his scientific reputation! A new feature in SHELX-97 is an interactive interface program SHELXPRO that is specific to protein applications; SHELXS and SHELXL are very general and in no way specific to certain
http://www.ccspublishing.org.cn/article/doi/10.14102/j.cnki.0254-5861.2011-2393?pageType=en dls pineda backgroundWebAn account is given of the development of the SHELX system of computer programs from SHELX-76 to the present day. In addition to identifying useful innovations that have come … crazzee boi by sara choihttp://web.mit.edu/x-ray/Summer_School_Material/Sheldrick_2008.pdf crazzy\\u0027s wasewagan campWebJan 1, 2015 · The present paper is intended to explain the philosophical and crystallographic background to developments between 2008 and 2015 in SHELXL, the program in the … crb1bw20-90s-x36WebJan 9, 2024 · shelx-manual Identifier-ark ark:/13960/s2b5z78kvtd Ocr tesseract 5.0.0-1-g862e Ocr_autonomous true Ocr_detected_lang en Ocr_detected_lang_conf 1.0000 … dls plumbing and heatingWebJan 9, 2024 · shelx-manual Identifier-ark ark:/13960/s2b5z78kvtd Ocr tesseract 5.0.0-1-g862e Ocr_autonomous true Ocr_detected_lang en Ocr_detected_lang_conf 1.0000 Ocr_detected_script Latin Ocr_detected_script_conf 1.0000 Ocr_module_version 0.0.14 Ocr_parameters-l lat+eng+Latin Page_number_confidence 10.46 Pages 154 Ppi 300 … crb10016 bearinghttp://shelx.uni-goettingen.de/ cr b1