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   2 ALERT level B = Potentially serious problem
  11 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check
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2Â¥2007-10-08 17:45:53
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3Â¥2007-10-08 18:24:24
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ÇóÖú:Acta crystallographica EµÄ·¢±í

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Alert level A
EXPT010_ALERT_1_A  _exptl_crystal_colour (_pd_char_colour for powder) is missing
            Crystal colour.
            The following tests will not be performed.
            CRYSC_01
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as .      mixed     
--------------------------------------------------------------------------------Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N1     -   C8      ..       7.24 su   
PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang ...         14      
PLAT417_ALERT_2_B Short Inter D-H..H-D       H1WB   ..  H2B     ..       2.03 Ang.
--------------------------------------------------------------------------------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
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT048_ALERT_1_C MoietyFormula Not Given ........................          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        500 Deg.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C14    -   C15     ..       5.77 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C8     
PLAT417_ALERT_2_C Short Inter D-H..H-D       H1WA   ..  H3A     ..       2.12 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C13 H8 Cl F N2                                                   
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2      
              C13 H8 Cl F N2                                                   
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3      
              H2 O                                                            
--------------------------------------------------------------------------------Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           26.00
           From the CIF: _reflns_number_total               3075
           Count of symmetry unique reflns         2264
           Completeness (_total/calc)            135.82%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       811
           Fraction of Friedel pairs measured     0.358
           Are heavy atom types Z>Si present        yes
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      
--------------------------------------------------------------------------------   2 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
  14 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check
4Â¥2007-10-08 19:26:29
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