PLAT101 Insufficient Number of Digits Given for SpecialPosition x-Coordinate

Fractions of the type 1/3 and 2/3 for the positional parameters of atoms in special positions should be provided with sufficient digits. (i.e. 0.66667 and 0.33333). Otherwise, they might be treated by the software as off the symmetryelement.

(http://journals.iucr.org/services/cif/checking/PLAT101.html)

警告原因：當原子處在特殊位置上且占有率為1/3或2/3時，需給出足夠位數(shù)的小數(shù)。否則會被軟件認為不處在對稱元素上。102和103檢查原因和處理方式相同。

解決策略：將相應(yīng)占有率補足足夠小數(shù)位數(shù)即可。

PLAT 102 Insufficient Number of Digits Given for SpecialPosition y-Coordinate

Fractions of the type 1/3 and 2/3 for the positionalparameters of atoms in special positions should be provided with sufficientdigits. (i.e. 0.66667 and 0.33333). Otherwise, they might be treated by thesoftware as off the nearly symmetry element.

(http://journals.iucr.org/services/cif/checking/PLAT102.html)

警告原因：當原子處在特殊位置上且占有率為1/3或2/3時，需給出足夠位數(shù)的小數(shù)。否則會被軟件認為不處在對稱元素上。102和103檢查原因和處理方式相同。

解決策略：將相應(yīng)占有率補足足夠小數(shù)位數(shù)即可。

PLAT 103 Insufficient Number of Digits Given for SpecialPosition z-Coordinate

Fractions of the type 1/3 and 2/3 for the positional parameters of atoms in specialpositions should be provided with sufficient digits. (i.e. 0.66667 and0.33333). Otherwise, they might be treated by the software as off the nearbysymmetry element.

(http://journals.iucr.org/services/cif/checking/PLAT103.html)

警告原因：當原子處在特殊位置上且占有率為1/3或2/3時，需給出足夠位數(shù)的小數(shù)。否則會被軟件認為不處在對稱元素上。102和103檢查原因和處理方式相同。

解決策略：將相應(yīng)坐標補足足夠小數(shù)位數(shù)即可。

PLAT104 Type_1 Test for additional translational symmetry [0, 1]

Check the reported crystal system against the reported space group. Alternatively, no crystal system was reported.

(http://journals.iucr.org/services/cif/checking/PLAT104.html)

例：PLAT104_ALERT_1_GThe Reported Crystal System is Inconsistent with????? P21/n Check

警告原因：未在_space_group_crystal_system項中給出晶系的信息或者給出晶系信息同空間群信息不符。

解決策略：一般不會出現(xiàn)，為誤操作。重新精修生成cif文件即可。

PLAT107 Type_2 Test validity of inversion twinning operation

Inversion twinning is meaningless in centrosymmetric spacegroup.

在中心對稱空間群中，倒反孿晶是無意義的。

(http://journals.iucr.org/services/cif/checking/PLAT107.html)

PLAT108 Type_2 Test validity of the twinning operation

The SHELXL TWIN instruction matrix corresponds to a symmetry operation of the non-centrosymmetric Laue group of the crystal structure. This is not a valid twin operation.

SHELXL中的TWIN指令矩陣對應(yīng)于晶體結(jié)構(gòu)的非中心對稱勞厄群的對稱操作。這不是有效的孿晶操作。

(http://journals.iucr.org/services/cif/checking/PLAT108.html)

PLAT109 Type_2 Test validity of the twinning operation

The SHELXL TWIN instruction matrix corresponds to an inverted symmetry operation of the non-centrosymmetric Laue group of the crystal structure. The reported twinning factor is actually the Flack x value.

SHELXL中的TWIN指令矩陣對應(yīng)于晶體結(jié)構(gòu)的非中心對稱勞厄群的倒反對稱操作。報告的孿晶因子實際上是Flack系數(shù)x的值。

(http://journals.iucr.org/services/cif/checking/PLAT109.html)

PLAT110 Type_2 Test for additional translational symmetry [0, 1]

Tests for missed symmetry are done with ADDSYM, an extended MISSYM (C) clone. These tests warn for missed or possible higher (pseudo) symmetry in the structural model (i.e. based on the coordinate data). Close examination of the situation at hand is indicated in order to prove/disprove the issue (usually in combination with the reflection data). Report on potential (pseudo/real) lattice centering or cell halving.

Note: H-atoms and disordered atoms are not taken into account in the tests.

用ADDSYM(一個擴展的MISSYM (C)克隆體)來檢查丟失的對稱性。這些檢查對結(jié)構(gòu)模型(即基于坐標數(shù)據(jù))中存在遺漏或可能更高(偽)對稱性發(fā)出警告。為證明/反駁這一問題(通常與衍射數(shù)據(jù)結(jié)合)，需要對手頭的情況進行仔細檢查。報告潛在的(偽/實)晶格定心或晶胞減半。

注意：檢查中不考慮氫原子和無序原子。

(http://journals.iucr.org/services/cif/checking/PLAT110.html)

警告原因：可能存在對稱因素。

解決策略：使用Platon中的Addsym檢查是否需要升空間群，否則需要給出合理解釋。