CheckCIF-ABSTY01

PROC-NAME: ABSTY01 Type_1

PURPOSE: To check that _exptl_absorpt_correction_type is one of the recognised keywords.

CHECKLIST:

        none (none applied)

        analytical (analytical from crystal shape)

        integration (integration from crystal shape)

        numerical (numerical from crystal shape)

        gaussian (Gaussian from crystal shape)

        empirical (psi-scan of intensities)

        psi-scan (psi-scan of intensities)

        multi-scan (symmetry-related measurements)

        refdelf (refined from delta-F)

        sphere (spherical)

        cylinder (cylindrical)

Otherwise issue ALERT A

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

IF extra text has been entered issue General ALERT

        "Extra text has been found in the _exptl_absorpt_correction_type field, which should be only a single keyword. A literature citation should be included in the _exptl_absorpt_process_details field."

        Use ONLY one of the specified keywords and no other text under _exptl_absorpt_correction_type. Note that psi-scans should be indicated as 'psi-scan' and not as '\f-scan'. The citation should be in parentheses in the usual citation format.

        Example:

        _exptl_absorpt_correction_type psi-scan

        _exptl_absorpt_process_details '(North et al., 1968)'

(http://journals.iucr.org/services/cif/checking/ABSTY_01.html)

目的：检查吸收校正类型(_exptl_absorpt_correction_type)的关键词是否可识别。

检查列表：

        none (none applied)

        analytical (analytical from crystal shape)

        integration (integration from crystal shape)

        numerical (numerical from crystal shape)

        gaussian (Gaussian from crystal shape)

        empirical (psi-scan of intensities)

        psi-scan (psi-scan of intensities)

        multi-scan (symmetry-related measurements)

        refdelf (refined from delta-F)

        sphere (spherical)

        cylinder (cylindrical)

若非上述项，发布A类警告

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

若有额外文本，发布一般警告

        "Extra text has been found in the _exptl_absorpt_correction_type field, which should be only a single keyword. A literature citation should be included in the _exptl_absorpt_process_details field."

        吸收校正类型(_exptl_absorpt_correction_type)只使用特定的关键词(上述检查列表中的关键词)，不要出现其他文本。需要注意的是，psi-scans应表示为'psi-scan'而不是'\f-scan'。引文应以常用引文格式置于括号内。

        例：

        _exptl_absorpt_correction_type psi-scan

        _exptl_absorpt_process_details '(North et al., 1968)'

例：ABSTY01_ALERT_1_A The absorption correction should be one of the following

        *  none

        *  analytical

        *  integration

        *  numerical

        *  gaussian

        *  empirical

        *  psi-scan

        *  multi-scan

        *  refdelf

        *  sphere

        *  cylinder

解决策略：按照所用的吸收校正的方法在cif文件中“_exptl_absorpt_correction_type”后填入所用吸收校正的方法名称(analytical、integration、numerical、gaussian、empirical、psi-scan、multi-scan、refdelf、sphere或cylinder)，若未做吸收校正则填写“none”或“?”。