CheckCIF-PLAT950-963
PLAT950 Type_5 Test for Reported and Calculated Hmax Difference (From CIF Data)
Reported (in the CIF) and Calculated (from Theta-max in CIF) Max(Hmax,-Hmin) values differ by at least one unit. Check the consistency of wavelength and reported resolution data items.
(http://journals.iucr.org/services/cif/checking/PLAT950.html)
例：PLAT950_ALERT_5_G Calculated (ThMax) and CIF-Reported Kmax Differ 2 Units
警告原因：Hmax的报道值与计算值有差异。
解决策略：一般不会出现，有合理解释即可。
PLAT951 Type_5 Test for Reported and Calculated Kmax Difference (From CIF Data)
Reported (in the CIF) and Calculated (from Theta-max in CIF) Max(Kmax,-Kmin) values differ by at least one unit. Check the consistency of wavelength and reported resolution data items.
(http://journals.iucr.org/services/cif/checking/PLAT951.html)
例：PLAT951_ALERT_5_G Reported and Calculated Kmax Values Differ by .. 2
警告原因：Kmax的报道值与计算值有差异。
解决策略：一般不会出现，有合理解释即可。
PLAT952 Type_5 Test for Reported and Calculated Lmax Difference (From CIF Data)
Reported (in the CIF) and Calculated (from Theta-max in CIF) Max(Lmax,-Lmin) values differ by at least one unit. Check the consistency of wavelength and reported resolution data items.
(http://journals.iucr.org/services/cif/checking/PLAT952.html)
例：PLAT952_ALERT_5_G Calculated (ThMax) and CIF-Reported Lmax Differ 2 Units
警告原因：根据CIF计算得到Lmax值和报道值不同。
解决策略：修改_diffrn_reflns_limit_l_max同报告值相同。
PLAT953 Type_1 Test for Reported (in CIF) and Actual Hmax Difference in the FCF File
Reported (in the CIF) and Actual (in the FCF) Max(Hmax,-Hmin) values differ by more than one unit. Check for data set truncation.
(http://journals.iucr.org/services/cif/checking/PLAT953.html)
警告原因：CIF中报道的Hmax值和FCF中实际的Hmax值之间存在差异。
解决策略：若使用了诸如OMIT 0 50命令截取分辨率，则删除该命令可能可以解决。
PLAT954 Type_1 Test for Reported (in CIF) and Actual Kmax Difference in the FCF File
Reported (in the CIF) and Actual (in the FCF) Max(Kmax,-Kmin) values differ by more than one unit. Check for data set truncation.
(http://journals.iucr.org/services/cif/checking/PLAT954.html)
警告原因：CIF中报道的Kmax值和FCF中实际的Kmax值之间存在差异。
解决策略：若使用了诸如OMIT 0 50命令截取分辨率，则删除该命令可能可以解决。
PLAT955 Type_1 Test for Reported (in CIF) and Actual Lmax Difference in the FCF file
Reported (in the CIF) and Actual (in the FCF) Max(Lmax,-Lmin) values differ by more than one unit. Check for data set truncation.
(http://journals.iucr.org/services/cif/checking/PLAT955.html)
例：PLAT955_ALERT_1_G Reported (CIF) and Actual (FCF) Lmax Differ by . 1 Units
警告原因：CIF中报道的Lmax值和FCF中实际的Lmax值之间存在差异。
解决策略：若使用了诸如OMIT 0 50命令截取分辨率，则删除该命令可能可以解决。
PLAT956 Type_1 Test for Calculated (Theta-max) and Actual Hmax Difference in the FCF File
Calculated (From Theta-Max in the CIF) and Actual (in the FCF) Max(Hmax,-Hmin) values differ by more than one unit. Check for data set truncation.
(http://journals.iucr.org/services/cif/checking/PLAT956.html)
例：PLAT956_ALERT_1_G Calculated (ThMax) and Actual (FCF) Hmax Differ 2 Units
警告原因：最大θ角范围内的CIF中报道的Hmax值和FCF中实际的Hmax值之间存在差异。
解决策略：若使用了诸如OMIT 0 50命令截取分辨率，则删除该命令可能可以解决。
PLAT957 Type_1 Test for Calculated (Theta-max) and Actual Kmax Difference in the FCF File
Calculated (From Theta-Max in the CIF) and Actual (in the FCF) Max(Kmax,-Kmin) values differ by more than one unit. Check for data set truncation.
(http://journals.iucr.org/services/cif/checking/PLAT957.html)
警告原因：最大θ角范围内的CIF中报道的Kmax值和FCF中实际的Kmax值之间存在差异。
解决策略：若使用了诸如OMIT 0 50命令截取分辨率，则删除该命令可能可以解决。
PLAT958 Type_1 Test for Calculated (Theta-max) and Actual Lmax Difference in the FCF file
Calculated (From Theta-max in the CIF) and Actual (in the FCF) Max(Lmax,-Lmin) values differ by more than one unit. Check for data set truncation.
(http://journals.iucr.org/services/cif/checking/PLAT958.html)
例：PLAT958_ALERT_1_G Calculated (ThMax) and Actual (FCF) Lmax Differ 2 Units
警告原因：最大θ角范围内的CIF中报道的Lmax值和FCF中实际的Lmax值之间存在差异。
解决策略：若使用了诸如OMIT 0 50命令截取分辨率，则删除该命令可能可以解决。
PLAT960 Type_3 Test for reflections with I < - 2 sigma
Multiple strongly negative intensities may be indicative for poor integration of the diffraction images. Too many negative intensities may result in higher than usual wR2 values.
(http://journals.iucr.org/services/cif/checking/PLAT960.html)
例：PLAT960_ALERT_3_G Number of Intensities with I < - 2*sig(I) ... 3 Check
警告原因：I < - 2 sigma的衍射点较多。
解决策略：重新还原数据。
PLAT961 Type_5 Test for absence of negative observed intensities
Generally, both positive and slightly negative intensities are expected in a data set. Resetting negative intensities to zero may bias the refinement results and the 'analysis-of-variance' as reported e.g. in the SHELXL output listing.
(http://journals.iucr.org/services/cif/checking/PLAT961.html)
例：PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
警告原因：数据中没有负强度的衍射点。
解决策略：一般无需处理，有合理解释即可。
PLAT962 Type_5 Test for Input Reflections with Sig(Fo^2) = 0
Reflections with Sigma(Fo^2) = 0 are suspect and best left out of the refinement. This type of reflections will result in multiple R & S-value difference ALERTS.
(http://journals.iucr.org/services/cif/checking/PLAT962.html)
例：PLAT962_ALERT_G Number of Input Relections with Sigma(Fo^2) = 0 3
警告原因：数据中存在Sigma(Fo^2) = 0的衍射点。
解决策略：一般无需处理，有合理解释即可。
PLAT963 Type_2 Test for both weighting parameter values zero (SHELXL)
Check unusual reported/refined zero SHELXL weight parameter values.
Note: SHELXL will not refine to negative values.
(http://journals.iucr.org/services/cif/checking/PLAT963.html)
警告原因：权重参数为0。
解决策略：可通过手动调节其数值。
