PROC-NAME: CRYSR01 Type_1

PURPOSE: To check that the radius of the crystal is given for a spherical or cylindrical crystal.

PROCEDURE:

(1) If the _exptl_crystal_description contains either 'cylinder' or 'sphere' check for a value of _exptl_crystal_size_rad

IF missing then issue ALERT C??? "Alert C _exptl_crystal_size_rad not in the CIF when expected."

? ? ? ? _exptl_crystal_size_rad is not given in the CIF although _exptl_crystal_description is given?as 'cylinder' or 'sphere'. Either give the cylinder or sphere radius or change _exptl_crystal_description to another type.

(http://journals.iucr.org/services/cif/checking/CRYSR_01.html)

目的：檢查是否為球形或圓柱形晶體指定了晶體半徑。

過(guò)程：

(1)若_exptl_crystal_description包含任何“cylinder”或“sphere”，則檢查_exptl_crystal_size_rad值

若缺失，則發(fā)布C級(jí)警告 ?"Alert C _exptl_crystal_size_rad not in the CIF when expected."

? ? ? ? 雖然_exptl_crystal_description被指定為“cylinder”或“sphere”，但CIF中_exptl_crystal_size_rad的值未給定。要么給出圓柱或球體的半徑，要么將_exptl_crystal_description更改為其他類型。

警告原因：_exptl_crystal_description描述含關(guān)鍵詞“cylinder”或“sphere”，但_exptl_crystal_size_rad值未給出。

解決策略：給出圓柱或球體的半徑(即給出_exptl_crystal_size_rad值)，或者將_exptl_crystal_description中的關(guān)鍵詞“cylinder”或“sphere”更改為其他關(guān)鍵詞。