CheckCIF-FCOEF01
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:檢查_refine_ls_structure_factor_coef值是否可識別。
檢查列表:
? ? ? ? Inet (凈強度)
? ? ? ? Fsqd (結(jié)構(gòu)因子的平方)
? ? ? ? F (結(jié)構(gòu)因子)
否則發(fā)布A級警告
? ? ? ?? "Alert A The absorption correction doesn't match a standard keyword"
? ? ? ? _refine_ls_structure_factor_coef只能是以下關(guān)鍵詞之一(勿向此字段添加額外文本,例如F-squared或F^2^都是不正確的):
? ? ? ? Inet
? ? ? ? Fsqd
? ? ? ? F
若在此字段發(fā)現(xiàn)額外文本或關(guān)鍵詞幾乎正確,則發(fā)布一般警告
? ? ? ? ?"Extra text has been found in the _refine_ls_structure_factor_coef field"
? ? ? ? _refine_ls_structure_factor_coef只能是以下關(guān)鍵詞之一(勿向此字段添加額外文本,例如F-squared或F^2^都是不正確的):
? ? ? ? Inet
? ? ? ? Fsqd
? ? ? ? F
警告原因:_refine_ls_structure_factor_coef為非標(biāo)準(zhǔn)關(guān)鍵詞。
解決策略:填入正確關(guān)鍵詞。