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CheckCIF-FCOEF01

2020-05-06 13:53 作者:DJ_Tokyo  | 我要投稿

PROC-NAME: FCOEF01 Type_1

PURPOSE: Check that the value of _refine_ls_structure_factor_coef is recognised.

CHECKLIST:

        Inet (net intensity)

        Fsqd (structure factor squared)

        F (structure factor magnitude)

Otherwise issue ALERT A

         "Alert A The absorption correction doesn't match a standard keyword"

        _refine_ls_structure_factor_coef must ONLY be one of the following keywords (do not add extra text to this field - e.g. F-squared or F^2^ is not correct):

        Inet

        Fsqd

        F

IF extra text is found in this field or the keyword is almost correct issue General ALERT

         "Extra text has been found in the _refine_ls_structure_factor_coef field"

        _refine_ls_structure_factor_coef must ONLY be one of the following keywords (do not add extra text to this field - e.g. F-squared or F^2^ is not correct):

        Inet

        Fsqd

        F

(http://journals.iucr.org/services/cif/checking/FCOEF_01.html)

目的:检查_refine_ls_structure_factor_coef值是否可识别。

检查列表:

        Inet (净强度)

        Fsqd (结构因子的平方)

        F (结构因子)

否则发布A级警告

         "Alert A The absorption correction doesn't match a standard keyword"

        _refine_ls_structure_factor_coef只能是以下关键词之一(勿向此字段添加额外文本,例如F-squared或F^2^都是不正确的):

        Inet

        Fsqd

        F

在此字段发现额外文本或关键词几乎正确,则发布一般警告

         "Extra text has been found in the _refine_ls_structure_factor_coef field"

        _refine_ls_structure_factor_coef只能是以下关键词之一(勿向此字段添加额外文本,例如F-squared或F^2^都是不正确的):

        Inet

        Fsqd

        F

警告原因:_refine_ls_structure_factor_coef为非标准关键词。

解决策略:填入正确关键词。


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