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18¹Ú6

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Alert level A
EXPT005_ALERT_1_A  _exptl_crystal_description is missing
            Crystal habit description.
            The following tests will not be performed.
            CRYSR_01
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
DENSX01_ALERT_1_A  The ratio of the calculated to measured crystal density
            lies outside the range 0.80 <> 1.20
            Calculated density =      1.475
            Measured density   =      0.000
SYMMG02_ALERT_1_A        The _symmetry_equiv_pos_as_xyz values are inconsistent
                     with the H-M symbol given
           From the CIF: _symmetry_equiv_pos_as_xyz
                                             x, y, z
                                             -x, y, -z+1/2
                                             x+1/2, y+1/2, z
                                             -x+1/2, y+1/2, -z+1/2
                                             -x, -y, -z
                                             x, -y, z-1/2
                                             -x+1/2, -y+1/2, -z
                                             x+1/2, -y+1/2, z-1/2
           These symops generate the Hall space group symbol   -c_2yc
           From the CIF: _symmetry_space_group_name_H-M     cc
           From the xyz: _symmetry_space_group_name_H-M     c_1_2/c_1
                     ALERT     8 symops in cif,     4 symops generated
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.94      
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as .      mixed     
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O4     
--------------------------------------------------------------------------------Alert level B
PLAT391_ALERT_3_B Deviating Methyl C18     H-C-H Bond Angle ......        121 Deg.
PLAT391_ALERT_3_B Deviating Methyl C18     H-C-H Bond Angle ......         95 Deg.
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18¹Ú6(½ð±Ò+5): Ê®·Ö¸Ðл 2011-03-16 17:53:40
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.94
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......        O4      
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9Â¥2011-03-16 08:29:14
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11Â¥2011-03-16 08:36:07
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shangfeng83Â¥
2011-03-16 08:00   »Ø¸´  
18¹Ú6(½ð±Ò+1):лл²ÎÓë
ÒýÓûØÌû:
Originally posted by 18¹Ú6 at 2011-03-15 21:42:38: Alert level A EXPT005_ALERT_1_A _exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01 EXPT01 ...

mettyt4Â¥
2011-03-16 08:03   »Ø¸´  
18¹Ú6(½ð±Ò+1):лл²ÎÓë
better20126Â¥
2011-03-16 08:07   »Ø¸´  
18¹Ú6(½ð±Ò+1):лл²ÎÓë
2011-03-16 08:24   »Ø¸´  
18¹Ú6(½ð±Ò+1):лл²ÎÓë
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