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lichun1210(½ð±Ò+2): лл½»Á÷£¬»¶Ó­³£À´¾§Ìå°æ£¡ 2011-08-15 21:30:37
vrichard(½ð±Ò+5): 2011-08-19 21:58:57
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2Â¥: Originally posted by sunjing120 at 2011-08-15 14:50:49:
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The absolute value of parameter shift to su ratio > 0.20
Absolute value of the parameter shift to su ratio given 1.749
Additional refinement cycles may be required.
PLAT053_ALERT_1_A Minimum Crystal Dimension Missing (or Error) ... ?
PLAT054_ALERT_1_A Medium Crystal Dimension Missing (or Error) ... ?
PLAT055_ALERT_1_A Maximum Crystal Dimension Missing (or Error) ... ?
PLAT080_ALERT_2_A Maximum Shift/Error ............................ 1.75
PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ ?


The maximum difference density is > 0.1*ZMAX*1.00
_refine_diff_density_max given = 4.555
Test value = 2.900
RFACR01_ALERT_3_B The value of the weighted R factor is > 0.35
Weighted R factor given 0.400
PLAT052_ALERT_1_B Info on Absorption Correction Method Missing ... ?
PLAT084_ALERT_2_B High wR2 Value ................................. 0.40
PLAT093_ALERT_1_B No su¡¯s on H-atoms, but refinement reported as . mixed
PLAT097_ALERT_2_B Large Reported Max. (Positive) Residual Density 4.55 eA-

Angle Calc 109.00, Rep 111.20 Dev... 2.20 Deg.
C37 -C38 -H38A 1.555 1.555 1.555 # 181

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3Â¥2011-08-15 21:23:06
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sunjing120

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sunjing
2Â¥2011-08-15 14:50:49
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vrichard(½ð±Ò+10): 2011-08-19 21:58:51
The absolute value of parameter shift to su ratio > 0.20
Absolute value of the parameter shift to su ratio given 1.749
Additional refinement cycles may be required.
Ôö¼ÓÔËËãÂÖÊýÊÔÊÔ
PLAT053_ALERT_1_A Minimum Crystal Dimension Missing (or Error) ... ?
PLAT054_ALERT_1_A Medium Crystal Dimension Missing (or Error) ... ?
PLAT055_ALERT_1_A Maximum Crystal Dimension Missing (or Error) ... ?
ÈýάûÓиø
PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ ?
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111
4Â¥2011-08-15 21:34:01
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