CheckCIF-PLAT151-158

PLAT151 Type_1 Check for s.u. on Volume

Missing s.u. on cell volume.

晶胞体积的标准偏差(s.u.)缺失。

(http://journals.iucr.org/services/cif/checking/PLAT151.html)

警告原因：晶胞体积的标准偏差(s.u.)缺失。

解决策略：检查是否还原过程某一步出问题，可重新还原数据。

PLAT152 Type_1 Check for consistency of s.u. on Volume and cell parameters

Some software packages calculate Volume s.u.'s incorrectly. The correct formula for triclinic, monoclinic and orthorhombic systems (based on the propagation of error expression) may be found in: M. Nardelli, Computer & Chemistry, (1983), 7, 95-98. or C. Giacovazzo ed. in 'Fundamentals of Crystallography', Second Edition, Oxford University Press, 2003, p135. Also note that several cell parameters for higher symmetry cells are no longer independent. S.u. calculations need special treatment in those cases.

(http://journals.iucr.org/services/cif/checking/PLAT152.html)

警告原因：给出的晶胞体积和计算出的有差别。

解决策略：检查数值是否填错，否则需给出合理解释。

PLAT153 Type_1 test for equal axial s.u.'s

The reported cell axes s.u.'s are reported equal. Please check whether this is correct or a software default value.

所报告的晶胞参数中三个晶轴的标准偏差(s.u.)相等。检查是否正确或为软件默认值。

(http://journals.iucr.org/services/cif/checking/PLAT153.html)

警告原因：晶胞参数中三个晶轴的标准偏差(s.u.)相等。

解决策略：检查角度误差是否写错并改正。

PLAT154 Type_1 test for equal cell angle s.u.'s

The reported cell angle s.u.'s are reported equal. Please check whether this is correct or a software default value.

所报告的晶胞参数中三个角度的标准偏差(s.u.)相等。检查是否正确或为软件默认值。

(http://journals.iucr.org/services/cif/checking/PLAT154.html)

警告原因：晶胞参数中三个角度的标准偏差(s.u.)相等。

解决策略：检查角度误差是否写错并改正。

PLAT155 Type_4 Check for reduced cell aP

Unless for special reasons related to the structure/content, a unit-cell and structure is best reported with reference to the Niggli Reduced Cell. This ALERT may originate also from a failure to order the axes from small to large.

除非由于与结构/内容有关的原因，否则最好参考Niggli Reduced Cell(Niggli约化胞)来报告单胞和结构。此警告也可能是由于未能将晶轴按从小到大排序所致。

(http://journals.iucr.org/services/cif/checking/PLAT155.html)

警告原因：未按照Niggli Reduced Cell(Niggli约化胞)来报告单胞和结构。也可能是由于未按照从小到大对晶轴进行排序。

解决策略：可能需要进行晶轴转换。

PLAT156 Type_4 Check for non-standard axial order

The axial order should be from small to large in the triclinic cell.

三斜晶系晶胞参数中的晶轴应按照从小到大排序。

(http://journals.iucr.org/services/cif/checking/PLAT156.html)

警告原因：三斜晶系晶胞参数中的晶轴未按照从小到大排序。

解决策略：进行晶轴转换。

PLAT157 Type_4 Check for non-standard monoclinic beta angle less 90 Degrees.

By convention, the Monoclinic beta angle is always chosen to be larger than 90.0 Degrees. A trivial transformation (1 0 0/0 -1 0/0 0 -1) should be applied to the data.

按照惯例，单斜晶系中的β角总是被选作大于90.0度的那个角。若非如此，则应对该数据做一个简单的转换(1 0 0/0 -1 0/0 0 -1)。

(http://journals.iucr.org/services/cif/checking/PLAT157.html)

警告原因：单斜晶系中大于90度的角不是β角。

解决策略：对数据做一个简单的转换(1 0 0/0 -1 0/0 0 -1)。

PLAT158 Type_4 Check for standard reduced cell

Unless for special reasons related to the structure/content, a unit-cell and structure is best reported with reference to the Niggli Reduced Cell.

除非由于与结构/内容有关的原因，否则最好参考Niggli Reduced Cell(Niggli约化胞)来报告单胞和结构。

(http://journals.iucr.org/services/cif/checking/PLAT158.html)

警告原因：未按照Niggli Reduced Cell(Niggli约化胞)来报告单胞和结构。也可能是由于未按照从小到大对晶轴进行排序。

解决策略：可能需要进行晶轴转换。