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CheckCIF-REFLL01

2020-05-21 07:31 作者:DJ_Tokyo  | 我要投稿

PROC-NAME: REFLL01 Type_1

PURPOSE: To check that _diffrn_reflns_limit_ values are in the correct order.

PROCEDURE:

TEST

IF _diffrn_reflns_limit_h_min >= _diffrn_reflns_limit_h_max issue ALERT B

   "Alert B The minimum h value cannot exceed the maximum h value"

IF _diffrn_reflns_limit_k_min >= _diffrn_reflns_limit_k_max issue ALERT B

   "Alert B The minimum h value cannot exceed the maximum k value"

IF _diffrn_reflns_limit_l_min >= _diffrn_reflns_limit_l_max issue ALERT B

   "Alert B The minimum h value cannot exceed the maximum l value"

Check that you have not accidentally mistyped or reversed one or more of the entries for the maximum and minimum values of h,k,l. Note that the limits for the reflection indices should correspond with the extremes used for the data collection and not those after the data have been merged.

(http://journals.iucr.org/services/cif/checking/REFLL_01.html)

警告原因:_diffrn_reflns_limit_值顺序错误。

解决策略:一般不会出现,可能是误操作,将其改正。


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