{"title":"采用Thorkildsen和Larsen分析方法计算圆柱和球形样品的吸收校正A*，具有扩展范围和高精度。","authors":"Hua-Chen Hu, Chao Yang, Kai Zhao","doi":"10.1107/S0108767312039505","DOIUrl":null,"url":null,"abstract":"<p><p>Tables of the absorption correction A* for cylindrical and spherical crystals were calculated by the Thorkildsen & Larsen [Acta Cryst. (1998), A54, 186-190] analytical method in the range of 0 ≤ μR ≤ 30 and 0 ≤ θ ≤ 90° with accuracies of 10(-6) for cylindrical crystals and 2.0 × 10(-6) for spherical crystals. Bivariate Chebyshev polynomial fitting formulae for A* are also provided for both cases. The maximum fitting error for spherical crystals is 6 × 10(-3) and the average error ranges from 7 × 10(-5) to 3 × 10(-4). All the important tables and the fitting program are provided in the supplementary material.</p>","PeriodicalId":7400,"journal":{"name":"Acta Crystallographica Section A","volume":"68 Pt 6","pages":"778-9"},"PeriodicalIF":1.8000,"publicationDate":"2012-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108767312039505","citationCount":"3","resultStr":"{\"title\":\"Absorption correction A* for cylindrical and spherical samples with extended range and high accuracy calculated by the Thorkildsen and Larsen analytical method.\",\"authors\":\"Hua-Chen Hu, Chao Yang, Kai Zhao\",\"doi\":\"10.1107/S0108767312039505\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Tables of the absorption correction A* for cylindrical and spherical crystals were calculated by the Thorkildsen & Larsen [Acta Cryst. (1998), A54, 186-190] analytical method in the range of 0 ≤ μR ≤ 30 and 0 ≤ θ ≤ 90° with accuracies of 10(-6) for cylindrical crystals and 2.0 × 10(-6) for spherical crystals. Bivariate Chebyshev polynomial fitting formulae for A* are also provided for both cases. The maximum fitting error for spherical crystals is 6 × 10(-3) and the average error ranges from 7 × 10(-5) to 3 × 10(-4). All the important tables and the fitting program are provided in the supplementary material.</p>\",\"PeriodicalId\":7400,\"journal\":{\"name\":\"Acta Crystallographica Section A\",\"volume\":\"68 Pt 6\",\"pages\":\"778-9\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2012-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1107/S0108767312039505\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section A\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1107/S0108767312039505\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2012/10/18 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section A","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1107/S0108767312039505","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2012/10/18 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}
Absorption correction A* for cylindrical and spherical samples with extended range and high accuracy calculated by the Thorkildsen and Larsen analytical method.
Tables of the absorption correction A* for cylindrical and spherical crystals were calculated by the Thorkildsen & Larsen [Acta Cryst. (1998), A54, 186-190] analytical method in the range of 0 ≤ μR ≤ 30 and 0 ≤ θ ≤ 90° with accuracies of 10(-6) for cylindrical crystals and 2.0 × 10(-6) for spherical crystals. Bivariate Chebyshev polynomial fitting formulae for A* are also provided for both cases. The maximum fitting error for spherical crystals is 6 × 10(-3) and the average error ranges from 7 × 10(-5) to 3 × 10(-4). All the important tables and the fitting program are provided in the supplementary material.
期刊介绍：
Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials.
The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial.
The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.
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