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lipan504

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Alert level A
PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of .        245 A**3
--------------------------------------------------------------------------------Alert level C
ABSTY02_ALERT_1_C  An _exptl_absorpt_correction_type has been given without
            a literature citation. This should be contained in the
            _exptl_absorpt_process_details field.
            Absorption correction given as MULTI-SCAN
STRVA01_ALERT_2_C           Chirality of atom sites is inverted?
           From the CIF: _refine_ls_abs_structure_Flack   10.000
           From the CIF: _refine_ls_abs_structure_Flack_su   10.000
PLAT033_ALERT_4_C Flack x Parameter Value Deviates from Zero .....      10.00      
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) .....       7.86      
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.24 Ratio
PLAT234_ALERT_4_C Large Hirshfeld Difference O7     --  N1      ..       0.15 Ang.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          8      
--------------------------------------------------------------------------------Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           25.50
           From the CIF: _reflns_number_total               1612
           Count of symmetry unique reflns         1612
           Completeness (_total/calc)            100.00%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present         no
PLAT032_ALERT_4_G Std. Uncertainty on Flack Parameter Value High .      10.00      
PLAT791_ALERT_4_G Note: The Model has Chirality at C1     (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at C2     (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at C3     (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at C4     (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at C5     (Verify)          R      
PLAT981_ALERT_1_G No non-zero f" Anomalous Scattering Values Found          ?
--------------------------------------------------------------------------------
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101702763

½ð³æ (ÕýʽдÊÖ)

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3Â¥: Originally posted by wujc at 2011-04-29 08:48:14
ÕÒÕÒÓÐÎÞÈܼÁ·å¡£A´íÎó²»ÊǺܴó£¬ÕÒ²»µ½£¬Ò²¿É˵ºÜ¶à²ÐÓàÎÞÐòÈܼÁ·åÒýÆðµÄÏÖÏó

Ͷ¸åʱ£¬±à¼­±ØÐëÈÃÐÞ¸ÄÕâ¸öCÀà´íÎó£ºPLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) .....       7.96     ÈçºÎÐ޸İ¡£¿ÔÚ´ËллÀ²......
Be led by your dreams, not pushed by your problems.
5Â¥2013-06-07 15:14:09
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lipan504

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2Â¥2011-04-29 08:37:50
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wujc

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lipan504(½ð±Ò+1): 2011-04-29 10:28:52
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3Â¥2011-04-29 08:48:14
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lipan504

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
Originally posted by wujc at 2011-04-29 08:48:14:
ÕÒÕÒÓÐÎÞÈܼÁ·å¡£A´íÎó²»ÊǺܴó£¬ÕÒ²»µ½£¬Ò²¿É˵ºÜ¶à²ÐÓàÎÞÐòÈܼÁ·åÒýÆðµÄÏÖÏó

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