{"title":"相位问题的一种新的迭代解。","authors":"Jianglin Feng","doi":"10.1107/S0108767311052561","DOIUrl":null,"url":null,"abstract":"<p><p>A new Fourier cycling phasing method is proposed based on the mathematical principle of the global minimization. In reciprocal space, the Fourier coefficient is of a mixed form of the normalized structure factors (2E(o)(2) - E(c)(2))E(c), while in direct space the Fourier map is modified with a peak-picking procedure. This method does not use any preliminary information and does not rely on any critical parameter; it can start with either randomly assigned phases or fixed phases (all zeros). This method performs significantly better than the commonly used forms of Fourier cycling.</p>","PeriodicalId":7400,"journal":{"name":"Acta Crystallographica Section A","volume":"68 Pt 2","pages":"298-300"},"PeriodicalIF":1.8000,"publicationDate":"2012-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108767311052561","citationCount":"3","resultStr":"{\"title\":\"A novel iterative solution to the phase problem.\",\"authors\":\"Jianglin Feng\",\"doi\":\"10.1107/S0108767311052561\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>A new Fourier cycling phasing method is proposed based on the mathematical principle of the global minimization. In reciprocal space, the Fourier coefficient is of a mixed form of the normalized structure factors (2E(o)(2) - E(c)(2))E(c), while in direct space the Fourier map is modified with a peak-picking procedure. This method does not use any preliminary information and does not rely on any critical parameter; it can start with either randomly assigned phases or fixed phases (all zeros). This method performs significantly better than the commonly used forms of Fourier cycling.</p>\",\"PeriodicalId\":7400,\"journal\":{\"name\":\"Acta Crystallographica Section A\",\"volume\":\"68 Pt 2\",\"pages\":\"298-300\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2012-03-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1107/S0108767311052561\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section A\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1107/S0108767311052561\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2012/1/12 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/S0108767311052561","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2012/1/12 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}
A new Fourier cycling phasing method is proposed based on the mathematical principle of the global minimization. In reciprocal space, the Fourier coefficient is of a mixed form of the normalized structure factors (2E(o)(2) - E(c)(2))E(c), while in direct space the Fourier map is modified with a peak-picking procedure. This method does not use any preliminary information and does not rely on any critical parameter; it can start with either randomly assigned phases or fixed phases (all zeros). This method performs significantly better than the commonly used forms of Fourier cycling.
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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