PLAT180 Type_4 Check Rounding of Cell Axes and Angles

It is unusual that more cell parameters end with a zero and the s.u. is 10. This problem might be caused by the specification of insufficient 'meaningful' digits as compared to the reported s.u. see also: W. Clegg, Acta Cryst. (2003) E59, e2-e5.

不同尋常的是有很多以零結(jié)尾的晶胞參數(shù)其標(biāo)準(zhǔn)偏差(s.u.)為10。此問題可能是由于與報告的標(biāo)準(zhǔn)偏差(s.u.)相比，所指定的“有意義”數(shù)字(有效數(shù)字)不足所致。另見：W. Clegg, Acta Cryst. (2003) E59, e2-e5.

(http://journals.iucr.org/services/cif/checking/PLAT180.html)

警告原因：較多晶胞參數(shù)以零結(jié)尾，但標(biāo)準(zhǔn)偏差為10。

解決策略：可能數(shù)據(jù)質(zhì)量不高，如有必要，重新收集數(shù)據(jù)。

PLAT181 Type_1 Check for all angles exactly 90 degrees in monoclinic

One of the angles in a monoclinic cell is expected to be not exactly 90 degrees.

單斜晶胞中的一個角度不是預(yù)期的那樣精確為90度。

(http://journals.iucr.org/services/cif/checking/PLAT181.html)

警告原因：單斜晶胞中預(yù)期為90度的晶胞參數(shù)不是精確的90度。

解決策略：檢查是否晶胞定錯，如有必要，重新還原數(shù)據(jù)。

PLAT182 Type_1 Check for at least one s.u. greater than zero in monoclinic

One angle should have an s.u. greater than zero in a monoclinic cell.

單斜晶胞中應(yīng)有一個角度的標(biāo)準(zhǔn)偏差(s.u.)應(yīng)大于零。

(http://journals.iucr.org/services/cif/checking/PLAT182.html)

警告原因：所測數(shù)據(jù)為單斜晶系，但晶胞參數(shù)不符合應(yīng)有一個角度的標(biāo)準(zhǔn)偏差(s.u.)應(yīng)大于零。

解決策略：檢查是否晶胞定錯，如有必要，重新還原數(shù)據(jù)。

PLAT183 Type_1 Check for _cell_measured_reflns_used value reported

Please supply the value for _cell_measurement_reflns_used.

(http://journals.iucr.org/services/cif/checking/PLAT183.html)

例：PLAT183_ALERT_1_A Missing _cell_measurement_reflns_used Value .... Please Do !

警告原因：“_cell_measurement_reflns_used”項(確定晶胞時所用的衍射點)數(shù)值缺失。

解決策略：在“name._ls”或“name.cif_od”或“CrystalClear.cif”文件中找到并在CIF中填寫即可。

PLAT184 Type_1 Check for _cell_measured_theta_min value reported

Please supply the value for _cell_measurement_theta_min.

(http://journals.iucr.org/services/cif/checking/PLAT184.html)

例：PLAT184_ALERT_1_A Missing _cell_measurement_theta_min Value ...... Please Do !

警告原因：“_cell_measurement_theta_min”項(確定晶胞時的最小θ角)數(shù)值缺失。

解決策略：在“name._ls”或“name.cif_od” 或“CrystalClear.cif”文件中找到并在CIF中填寫即可。

PLAT185 Type_1 Check for _cell_measured_theta_max value reported

Please supply the value for _cell_measurement_theta_max.

(http://journals.iucr.org/services/cif/checking/PLAT185.html)

例：PLAT185_ALERT_1_A Missing _cell_measurement_theta_max Value ...... Please Do !

警告原因：“_cell_measurement_theta_max”項(確定晶胞時的最大θ角)數(shù)值缺失。

解決策略：在“name._ls”或“name.cif_od” 或“CrystalClear.cif”文件中找到并在CIF中填寫即可。

PLAT186 Type_4 Check for ISOR Record(s) in CIF-Embedded shelxl.res

The use of ISOR record(s) in the SHELXL .res file should be documented in the experimental section of the associated publication.

在SHELXL .res文件中使用ISOR的記錄應(yīng)標(biāo)注于有關(guān)出版物的實驗部分。

(http://journals.iucr.org/services/cif/checking/PLAT186.html)

警告原因：使用了ISOR限制命令。

解決策略：一般不用解決，有合理解釋即可。

PLAT187 Type_4 Check for RIGU Record(s) in CIF-Embedded shelxl.res

The use of RIGU record(s) in the SHELXL .res file should be documented in the experimental section of the associated publication.

在SHELXL .res文件中使用RIGU的記錄應(yīng)標(biāo)注于有關(guān)出版物的實驗部分。

(http://journals.iucr.org/services/cif/checking/PLAT187.html)

警告原因：使用了RIGU限制命令。

解決策略：一般不用解決，有合理解釋即可。