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On the use of the C map in Patterson deconvolution procedures.

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Title: On the use of the C map in Patterson deconvolution procedures.
Authors: Caliandro, Rocco, Carrozzini, Benedetta, Cascarano, Giovanni Luca, Comunale, Giuliana, Giacovazzo, Carmelo
Source: Acta Crystallographica: Section A (Wiley-Blackwell). Jan2013, Vol. 69 Issue 1, p98-107. 10p. 3 Diagrams, 2 Charts, 1 Graph.
Subjects: Patterson function, Deconvolution (Mathematics), Cross correlation, Electron distribution, Crystal structure, Space groups
Abstract: The cross-correlation function between the target and a model electron density, denoted as the C map, has been crystallographically characterized. In particular, a study of its interatomic vectors and of their relation with the Patterson vectors has been undertaken. Since the C map is not available during the phasing process, the C′ map, its centric modification, is considered. It may be computed at any stage of the phasing process and shows properties that are very useful for the crystal structure determination process. It has been combined with the implication transformation method and with vector-superposition techniques for performing the Patterson deconvolution and obtaining an initial model for dual-space recycling. While Patterson methods are traditionally considered to be more efficient for structures containing heavy atoms, the C map extends their potential to light-atom structures ( i.e. containing atoms not heavier than O). [ABSTRACT FROM AUTHOR]
Copyright of Acta Crystallographica: Section A (Wiley-Blackwell) is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 84483102
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PubTypeId: academicJournal
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  Data: <searchLink fieldCode="AR" term="%22Caliandro%2C+Rocco%22">Caliandro, Rocco</searchLink><br /><searchLink fieldCode="AR" term="%22Carrozzini%2C+Benedetta%22">Carrozzini, Benedetta</searchLink><br /><searchLink fieldCode="AR" term="%22Cascarano%2C+Giovanni+Luca%22">Cascarano, Giovanni Luca</searchLink><br /><searchLink fieldCode="AR" term="%22Comunale%2C+Giuliana%22">Comunale, Giuliana</searchLink><br /><searchLink fieldCode="AR" term="%22Giacovazzo%2C+Carmelo%22">Giacovazzo, Carmelo</searchLink>
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  Data: <searchLink fieldCode="JN" term="%22Acta+Crystallographica%3A+Section+A+%28Wiley-Blackwell%29%22">Acta Crystallographica: Section A (Wiley-Blackwell)</searchLink>. Jan2013, Vol. 69 Issue 1, p98-107. 10p. 3 Diagrams, 2 Charts, 1 Graph.
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  Data: <searchLink fieldCode="DE" term="%22Patterson+function%22">Patterson function</searchLink><br /><searchLink fieldCode="DE" term="%22Deconvolution+%28Mathematics%29%22">Deconvolution (Mathematics)</searchLink><br /><searchLink fieldCode="DE" term="%22Cross+correlation%22">Cross correlation</searchLink><br /><searchLink fieldCode="DE" term="%22Electron+distribution%22">Electron distribution</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+structure%22">Crystal structure</searchLink><br /><searchLink fieldCode="DE" term="%22Space+groups%22">Space groups</searchLink>
– Name: Abstract
  Label: Abstract
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  Data: The cross-correlation function between the target and a model electron density, denoted as the C map, has been crystallographically characterized. In particular, a study of its interatomic vectors and of their relation with the Patterson vectors has been undertaken. Since the C map is not available during the phasing process, the C′ map, its centric modification, is considered. It may be computed at any stage of the phasing process and shows properties that are very useful for the crystal structure determination process. It has been combined with the implication transformation method and with vector-superposition techniques for performing the Patterson deconvolution and obtaining an initial model for dual-space recycling. While Patterson methods are traditionally considered to be more efficient for structures containing heavy atoms, the C map extends their potential to light-atom structures ( i.e. containing atoms not heavier than O). [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Acta Crystallographica: Section A (Wiley-Blackwell) is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1107/S0108767312040469
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      – Code: eng
        Text: English
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        PageCount: 10
        StartPage: 98
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      – SubjectFull: Patterson function
        Type: general
      – SubjectFull: Deconvolution (Mathematics)
        Type: general
      – SubjectFull: Cross correlation
        Type: general
      – SubjectFull: Electron distribution
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      – SubjectFull: Crystal structure
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      – SubjectFull: Space groups
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      – TitleFull: On the use of the C map in Patterson deconvolution procedures.
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            NameFull: Cascarano, Giovanni Luca
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              Text: Jan2013
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