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：檢查吸收校正類型(_exptl_absorpt_correction_type)的關(guān)鍵詞是否可識別。

檢查列表：

? ? ? ? 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)

若非上述項，發(fā)布A類警告

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

若有額外文本，發(fā)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."

? ? ? ? 吸收校正類型(_exptl_absorpt_correction_type)只使用特定的關(guān)鍵詞(上述檢查列表中的關(guān)鍵詞)，不要出現(xiàn)其他文本。需要注意的是，psi-scans應(yīng)表示為'psi-scan'而不是'\f-scan'。引文應(yīng)以常用引文格式置于括號內(nèi)。

? ? ? ? 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

解決策略：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稱(analytical、integration、numerical、gaussian、empirical、psi-scan、multi-scan、refdelf、sphere或cylinder)，若未做吸收校正則填寫“none”或“?”。