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liudanna

Í­³æ (ÕýʽдÊÖ)

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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.
SHFSU01_ALERT_2_A  The absolute value of parameter shift to su ratio > 0.20
            Absolute value of the parameter shift to su ratio given   0.290
            Additional refinement cycles may be required.
PLAT078_ALERT_1_A No H-atoms, but _solution_hydrogens reported as        geom Check
PLAT079_ALERT_1_A No H-atoms, but _hydrogen_treatment reported as       mixed Check
PLAT080_ALERT_2_A Maximum Shift/Error ............................       0.29 Why ?
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 !
PLAT211_ALERT_2_A ADP of Atom O30     is N.P.D. or (nearly) 2D ...     Please Check
And 3 other PLAT211 Alerts
PLAT211_ALERT_2_A ADP of Atom C51     is N.P.D. or (nearly) 2D ...     Please Check
PLAT211_ALERT_2_A ADP of Atom C70     is N.P.D. or (nearly) 2D ...     Please Check
PLAT211_ALERT_2_A ADP of Atom C27     is N.P.D. or (nearly) 2D ...     Please Check

PLAT213_ALERT_2_A Atom O69             has ADP max/min Ratio .....        5.3 oblate
And 2 other PLAT213 Alerts
PLAT213_ALERT_2_A Atom C21             has ADP max/min Ratio .....        5.1 oblate
PLAT213_ALERT_2_A Atom C80             has ADP max/min Ratio .....        5.1 oblate

PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of .        381 Ang3  
Alert level B
PLAT043_ALERT_1_B Calculated and Reported Mol. Weight Differ by ..     107.13 Check
PLAT051_ALERT_1_B Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by .       8.93 %     
PLAT213_ALERT_2_B Atom O14             has ADP max/min Ratio .....        4.8 oblate
And 3 other PLAT213 Alerts
PLAT213_ALERT_2_B Atom O49             has ADP max/min Ratio .....        4.2 oblate
PLAT213_ALERT_2_B Atom O71             has ADP max/min Ratio .....        5.0 prolat
PLAT213_ALERT_2_B Atom C11             has ADP max/min Ratio .....        4.9 prolat

PLAT342_ALERT_3_B Low Bond Precision on  C-C Bonds ...............    0.03588 Ang.  
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[ Last edited by linhua0402313 on 2016-1-15 at 16:52 ]
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