Analysis of hidden information - PLSR on XRD raw data
نویسندگان
چکیده
منابع مشابه
XRD-DFA Analysis of data on discrete units of micro-molecules: Applied on C52H60N4S8Zn2
X-ray diffraction (XRD) technique due to it's strength for providing visualized atomic model of molecules, stands as first in the field of characterization of new synthesized molecules. Here, the analysis of diffraction data on discrete units of new, not yet fairly known structure of molecule $rm C_{52} H_{60} N_4 S_8 Zn_2$ is performed to obtain a quantitative view of the structure of the syst...
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The comparison of similar structures is a central step in extracting biological information from structural models. As structural data become available at an ever increasing rate, the set of ’similar structures’ to be taken into account for a specific problem can easily contain tens or hundreds of models. For such a situation, the classical approach of pair wise superposition using the root-mea...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2014
ISSN: 2053-2733
DOI: 10.1107/s2053273314090457