PROC-NAME: REFLT01 Type_1

PURPOSE: To check that _reflns_number_total is less than or equal to the _diffrn_reflns_number.

PROCEDURE:

TEST

IF _reflns_number_total > _diffrn_reflns_number

issue ALERT B

?? "Alert B The number of symmetry-independent reflections cannot exceed the total number of reflections measured"

The total number of reflections measured originally by the diffractometer should be given under _diffrn_reflns_number. Any subsequent set of reflections derived from this must, logically, be a subset of the total reflections measured. Therefore, the reported number of unique reflections given with _reflns_number_total must be less than (or possibly equal to) the number given under _diffrn_reflns_number. Check for typographical errors.

(http://journals.iucr.org/services/cif/checking/REFLT_01.html)

例：REFLT01_ALERT_1_B The number of symmetry-independent reflections cannot

??????????? exceed the total number of reflections measured

??????????? Number of symmetry-independent reflections = 10384

??????????? Total number of reflections??????????????? =? 10383

警告原因：_reflns_number_total值大于_diffrn_reflns_number。

解決策略：一般不會出現(xiàn)，可能是誤操作，將其改正。