PLAT151 Type_1 Check for s.u. on Volume

Missing s.u. on cell volume.

晶胞體積的標(biāo)準(zhǔn)偏差(s.u.)缺失。

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

警告原因：晶胞體積的標(biāo)準(zhǔn)偏差(s.u.)缺失。

解決策略：檢查是否還原過程某一步出問題，可重新還原數(shù)據(jù)。

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：給出的晶胞體積和計(jì)算出的有差別。

解決策略：檢查數(shù)值是否填錯(cuò)，否則需給出合理解釋。

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.

所報(bào)告的晶胞參數(shù)中三個(gè)晶軸的標(biāo)準(zhǔn)偏差(s.u.)相等。檢查是否正確或?yàn)檐浖J(rèn)值。

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

警告原因：晶胞參數(shù)中三個(gè)晶軸的標(biāo)準(zhǔn)偏差(s.u.)相等。

解決策略：檢查角度誤差是否寫錯(cuò)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.

所報(bào)告的晶胞參數(shù)中三個(gè)角度的標(biāo)準(zhǔn)偏差(s.u.)相等。檢查是否正確或?yàn)檐浖J(rèn)值。

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

警告原因：晶胞參數(shù)中三個(gè)角度的標(biāo)準(zhǔn)偏差(s.u.)相等。

解決策略：檢查角度誤差是否寫錯(cuò)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.

除非由于與結(jié)構(gòu)/內(nèi)容有關(guān)的原因，否則最好參考Niggli Reduced Cell(Niggli約化胞)來報(bào)告單胞和結(jié)構(gòu)。此警告也可能是由于未能將晶軸按從小到大排序所致。

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

警告原因：未按照Niggli Reduced Cell(Niggli約化胞)來報(bào)告單胞和結(jié)構(gòu)。也可能是由于未按照從小到大對(duì)晶軸進(jìn)行排序。

解決策略：可能需要進(jìn)行晶軸轉(zhuǎn)換。

PLAT156 Type_4 Check for non-standard axial order

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

三斜晶系晶胞參數(shù)中的晶軸應(yīng)按照從小到大排序。

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

警告原因：三斜晶系晶胞參數(shù)中的晶軸未按照從小到大排序。

解決策略：進(jìn)行晶軸轉(zhuǎn)換。

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.

按照慣例，單斜晶系中的β角總是被選作大于90.0度的那個(gè)角。若非如此，則應(yīng)對(duì)該數(shù)據(jù)做一個(gè)簡單的轉(zhuǎn)換(1 0 0/0 -1 0/0 0 -1)。

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

警告原因：單斜晶系中大于90度的角不是β角。

解決策略：對(duì)數(shù)據(jù)做一個(gè)簡單的轉(zhuǎn)換(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.

除非由于與結(jié)構(gòu)/內(nèi)容有關(guān)的原因，否則最好參考Niggli Reduced Cell(Niggli約化胞)來報(bào)告單胞和結(jié)構(gòu)。

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

警告原因：未按照Niggli Reduced Cell(Niggli約化胞)來報(bào)告單胞和結(jié)構(gòu)。也可能是由于未按照從小到大對(duì)晶軸進(jìn)行排序。

解決策略：可能需要進(jìn)行晶軸轉(zhuǎn)換。