checkCIF procedure

PLAT196


PLAT196 Type_1 Test for _cell_measurement_temperature not equal 293K and no TEMP record
 SHELXL places Hydrogen atoms at calculated positions with default distance
 values to their parent atoms depending on the temperature reported in the
 TEMP record. When the TEMP record is absent in the embedded '.res' file a 
 default temperature of 293K is assumed. An ALERT is issued when the CIF 
 reported '_cell_measurement_temperature' differs from 293K.
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