CheckCIF-CHEMS02

PROC-NAME: CHEMS02 Type_1

PURPOSE: To check that the stated category _publ_requested_category is consistent with the chemical formula of the compound.

PROCEDURE:

        1. If compound contains no C then inorganic.

        2. If compound contains C but no H, probably inorganic.

        3. If compound contains C, H and a metal then metalorganic.

        4. If compound contains C, H and no metal then organic.

IF the _publ_requested_category doesn't match the deduced category then issue a General ALERT for author to cross check

       "Please check that you have entered the correct _publ_requested_category classification of your compound; FI or CI for inorganic; FM or CM for metal-organic; FO or CO for organic."

(http://journals.iucr.org/services/cif/checking/CHEMS_02.html)

目的: 检查所声明的类别_publ_requested_category与化合物化学式是否一致。

若_publ_requested_category与推导出的类别不匹配，则发出一般警告，让作者进行交叉检查。

        "Please check that you have entered the correct _publ_requested_category classification of your compound; FI or CI for inorganic; FM or CM for metal-organic; FO or CO for organic."

警告原因：所声明的类别_publ_requested_category与化合物化学式不一致。

解决策略：按给定类别更正即可。