{"created":"2023-05-15T12:35:52.289782+00:00","id":4961,"links":{},"metadata":{"_buckets":{"deposit":"2de4dcb1-d339-4581-a37a-f4825247510f"},"_deposit":{"created_by":91,"id":"4961","owners":[91],"pid":{"revision_id":0,"type":"depid","value":"4961"},"status":"published"},"_oai":{"id":"oai:nitech.repo.nii.ac.jp:00004961","sets":["31"]},"author_link":["12","16348","16349","16350","12","16352"],"item_10001_biblio_info_28":{"attribute_name":"bibliographic_information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2001-06","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"2","bibliographicPageEnd":"70","bibliographicPageStart":"65","bibliographicVolumeNumber":"16","bibliographic_titles":[{"bibliographic_title":"Powder Diffraction","bibliographic_titleLang":"en"}]}]},"item_10001_description_36":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"The Monte Carlo method is applied to finding missing atoms in solving inorganic crystal structures without applying a rigid-body approximation. Whole powder patterns of α-SiO2 and Mg2SiO4 were used for testing a procedure. Four atoms among the six in the asymmetric unit of Mg2SiO4 could be found in the present analysis. The use of well-refined profile parameters enhanced the frequency of correct structure configurations in the Monte Carlo search. Utilizing structural information available for constructing a trial configuration is also considered to be important for efficiently searching the structure solution. A procedure for assignment of equivalent positions to respective atoms is presented. The method can be used as a powerful tool for finding missing atoms in a partially solved structure. A histogram of weighted reliability index in Monte Carlo calculations is very informative for evaluating the performance of the method.","subitem_description_language":"en","subitem_description_type":"Other"}]},"item_10001_full_name_27":{"attribute_name":"著者別名","attribute_value_mlt":[{"familyNames":[{"familyName":"井田","familyNameLang":"ja"},{"familyName":"イダ","familyNameLang":"ja-Kana"},{"familyName":"Ida","familyNameLang":"en"}],"givenNames":[{"givenName":"隆","givenNameLang":"ja"},{"givenName":"タカシ","givenNameLang":"ja-Kana"},{"givenName":"Takashi","givenNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"12","nameIdentifierScheme":"WEKO"},{"nameIdentifier":"1000080232388","nameIdentifierScheme":"NRID","nameIdentifierURI":"http://rns.nii.ac.jp/nr/1000080232388"}],"names":[{"name":"井田, 隆","nameLang":"ja"},{"name":"イダ, タカシ","nameLang":"ja-Kana"},{"name":"Ida, 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Physics","subitem_publisher_language":"en"}]},"item_10001_relation_34":{"attribute_name":"item_10001_relation_34","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"10.1154/1.1351155"}],"subitem_relation_type":"isIdenticalTo","subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1154/1.1351155","subitem_relation_type_select":"DOI"}}]},"item_10001_source_id_30":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0885-7156","subitem_source_identifier_type":"ISSN"}]},"item_10001_source_id_32":{"attribute_name":"item_10001_source_id_32","attribute_value_mlt":[{"subitem_source_identifier":"AA10679065","subitem_source_identifier_type":"NCID"}]},"item_10001_version_type_33":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Nakamura, 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approximation","subitem_title_language":"en"}]},"item_type_id":"10001","owner":"91","path":["31"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2012-11-06"},"publish_date":"2012-11-06","publish_status":"0","recid":"4961","relation_version_is_last":true,"title":["The Monte Carlo method for finding missing atoms in solving crystal structures from powder diffraction data without applying a rigid-body approximation"],"weko_creator_id":"91","weko_shared_id":-1},"updated":"2025-03-19T00:55:41.771355+00:00"}