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虫号: 6669032
注册: 2017-06-02
专业: 配位化学

[交流] 有几个错误不会修，身边也没有可以求教的人，求大神们帮我看看这几个错误怎么改已有2人参与

Alert level A
SYMM001_ALERT_1_A  _symmetry_cell_setting is missing
         The cell setting should be one of the following
         *  triclinic
         *  monoclinic
         *  orthorhombic
         *  tetragonal
         *  rhombohedral
         *  trigonal
         *  hexagonal
         *  cubic
         The following tests will not be performed.
         SYMMS_01,SYMMS_02
EXPT005_ALERT_1_A  _exptl_crystal_description is missing
         Crystal habit description.
         The following tests will not be performed.
         CRYSR_01
DIFF003_ALERT_1_A  _diffrn_measurement_device_type is missing
         Diffractometer make and type. Replaces _diffrn_measurement_type.
PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........    Please Do !
PLAT183_ALERT_1_A Missing _cell_measurement_reflns_used Value ....    Please Do !
PLAT184_ALERT_1_A Missing _cell_measurement_theta_min Value ......    Please Do !
PLAT185_ALERT_1_A Missing _cell_measurement_theta_max Value ......    Please Do !
PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of .       508 Ang**3

--------------------------------------------------------------------------------
Alert level B
PLAT212_ALERT_2_B ADP of Atom O5       is N.P.D. or (nearly) 2D .    Please Check
PLAT430_ALERT_2_B Short Inter D...A Contact O2    ..O4       .    2.68 Ang.
And 2 other PLAT430 Alerts
Less ...PLAT430_ALERT_2_B Short Inter D...A Contact O4    ..O5       .    2.70 Ang.
PLAT430_ALERT_2_B Short Inter D...A Contact O5    ..O6       .    2.71 Ang.

please do 部分我会改，
下面的A类错误601我查过了是需要用platon来做，我也自学了squeeze的方法，但是结合教程发现，没有出来教程上说的那些文件，不知道该怎么办。
B类错误212，我查过是需要检测溶剂或阴离子分子中各向异性参数中负值部分，可是我还是不明白该怎么做。
B类错误430，说是检测D-A距离，也不明白，求大神们教一下，感谢。

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