{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1360292619088991744.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1154/1.1763152"}},{"identifier":{"@type":"URI","@value":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/S0885715600008204"}}],"dc:title":[{"@value":"Monte Carlo indexing with McMaille"}],"description":[{"type":"abstract","notation":[{"@value":"<jats:p>\n                    A Monte Carlo code for indexing powder diffraction patterns is presented. Cell parameters are generated randomly and tested against an idealized powder profile generated from the extracted d’s and I’s. Limits with this program in solving problems associated with zeropoint errors and impurity lines are examined. Most problems (V<2000 Å\n                    <jats:sup>3</jats:sup>\n                    , cell parameters <20 Å) are solved in less than 1–15 min if the symmetry is as low as monoclinic (with a >2 GHz processor); more time is needed for triclinic cases. Attempts are shown to be successful for the indexation of two-phase samples in simple cases (combining orthorhombic or higher symmetries). ©\n                    <jats:italic>2004 International Centre for Diffraction Data.</jats:italic>\n                  </jats:p>\n                  <jats:p>Key words: powder diffraction, indexing, Monte Carlo</jats:p>"}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1380292619088991744","@type":"Researcher","foaf:name":[{"@value":"A. Le Bail"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"08857156"},{"@type":"EISSN","@value":"19457413"}],"prism:publicationName":[{"@value":"Powder Diffraction"}],"dc:publisher":[{"@value":"Cambridge University Press (CUP)"}],"prism:publicationDate":"2004-09","prism:volume":"19","prism:number":"3","prism:startingPage":"249","prism:endingPage":"254"},"reviewed":"false","dc:rights":["https://www.cambridge.org/core/terms"],"url":[{"@id":"https://www.cambridge.org/core/services/aop-cambridge-core/content/view/S0885715600008204"}],"createdAt":"2004-08-30","modifiedAt":"2026-01-15","relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1360002217863202432","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Robust powder auto-indexing using many peaks"}]},{"@id":"https://cir.nii.ac.jp/crid/1360025430207906432","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Ideas of lattice-basis reduction theory for error-stable Bravais lattice determination and <i>ab</i>\n                  <i>initio</i> indexing"}]},{"@id":"https://cir.nii.ac.jp/crid/1360285710774365696","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Stardust Interstellar Preliminary Examination VIII: Identification of crystalline material in two interstellar candidates"}]},{"@id":"https://cir.nii.ac.jp/crid/1360306905155817600","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Data-assimilated crystal growth simulation for multiple crystalline phases"}]},{"@id":"https://cir.nii.ac.jp/crid/1360572092542448000","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Symmetry prediction and knowledge discovery from X-ray diffraction patterns using an interpretable machine learning approach"}]},{"@id":"https://cir.nii.ac.jp/crid/1360588379379679744","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Enhanced catalytic activity of solubilised species obtained by counter-cation exchange of K{Co<sup>II</sup><sub>1.5</sub>[Fe<sup>II</sup>(CN)<sub>6</sub>]} for water oxidation"}]},{"@id":"https://cir.nii.ac.jp/crid/1360848658121663232","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Perovskite-to-Postperovskite Transitions in NaNiF<sub>3</sub> and NaCoF<sub>3</sub> and Disproportionation of NaCoF<sub>3</sub> Postperovskite under High Pressure and High Temperature"}]},{"@id":"https://cir.nii.ac.jp/crid/1390001204089370112","@type":"Article","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Indexing, Extraction of Integrated Intensity, and Structure Solution by the Direct Method and Charge Flipping from Power X-Ray Diffraction Data"},{"@language":"ja","@value":"有機粉末構造解析をはじめよう！（３）指数付け‐パターン分解と，直接法＆Ｃｈａｒｇｅ　Ｆｌｉｐｐｉｎｇによる構造決定"},{"@value":"有機粉末構造解析をはじめよう!(3)指数付け-パターン分解と,直接法&Charge Flippingによる構造決定"},{"@language":"ja-Kana","@value":"ユウキ フンマツ コウゾウ カイセキ オ ハジメヨウ 3 シスウ ズケ パターン ブンカイ ト チョクセツホウ Charge Flipping ニ ヨル コウゾウ ケッテイ"}]},{"@id":"https://cir.nii.ac.jp/crid/1390017920607660416","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"An Ab-Initio Indexing Method Using Conway’ s Topograph and Mathematical Ideas Behind It"},{"@language":"ja","@value":"トポグラフを用いた指数付け（ab-initio indexing）の手法とその背景にある数理のアイデア"}]},{"@id":"https://cir.nii.ac.jp/crid/1390564237998532352","@type":"Article","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"ja","@value":"高圧粉末X線回折実験による結晶構造解析手法の開発および高圧構造の解明"},{"@language":"en","@value":"Solving Crystal Structures Under High Pressure by Powder X-Ray Diffraction Experiments"},{"@value":"受賞記念解説 高圧力学会学会賞 高圧粉末X線回折実験による結晶構造解析手法の開発および高圧構造の解明"},{"@language":"ja-Kana","@value":"ジュショウ キネン カイセツ コウアツリョク ガッカイ ガッカイショウ コウアツフンマツ Xセン カイセツ ジッケン ニ ヨル ケッショウ コウゾウ カイセキ シュホウ ノ カイハツ オヨビ コウアツ コウゾウ ノ 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