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【答案】應(yīng)助回帖
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感謝參與，應(yīng)助指數(shù) +1
dushuyun: 金幣+50, ★★★★★最佳答案, 非常感謝！ 2016-01-20 21:32:11
就剩一個(gè)B錯(cuò)了
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 !
Alert level B
PLAT242_ALERT_2_B Low 'MainMol' Ueq as Compared to Neighbors of N7 Check
Alert level C
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.287
PLAT052_ALERT_1_C Info on Absorption Correction Method Not Given Please Do !
PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ................... 0.29 Report
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.38 Report
PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 2 Check
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) Range 3.1 Ratio
PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) Range 3.1 Ratio
PLAT241_ALERT_2_C High 'MainMol' Ueq as Compared to Neighbors of N5 Check |
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