求助晶体数据精修，急急急，非常感谢。？求助晶体精修，好多错误不会精修，多谢。在线等。。。Alert level ASYMM001_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_02EXPT005_ALERT_1_A??_exptl_crystal_description is missing? ?? ?? ?? ?Crystal habit description.? ?? ?? ?? ?The following tests will not be performed.? ?? ?? ?? ?CRYSR_01DIFF003_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? ?0.318? ?? ?? ?? ?Additional refinement cycles may be required.PLAT043_ALERT_1_A Calculated and Reported Mol. Weight Differ by ..? ???166.08 Check 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 ............................? ?? ? 0.32 Why ? PLAT082_ALERT_2_A High R1 Value ..................................? ?? ? 0.23 ReportPLAT084_ALERT_3_A High wR2 Value (i.e. > 0.25) ...................? ?? ? 0.54 ReportPLAT097_ALERT_2_A Large Reported Max.??(Positive) Residual Density? ?? ? 7.36 eA-3??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 N6? ?? ?is N.P.D. or (nearly) 2D ...? ???Please Check PLAT211_ALERT_2_A ADP of Atom C102? ? is N.P.D. or (nearly) 2D ...? ???Please Check PLAT213_ALERT_2_A Atom O1? ?? ?? ?? ???has ADP max/min Ratio .....? ?? ???5.4 prolatAnd 3 other PLAT213 AlertsLess ...PLAT213_ALERT_2_A Atom O6? ?? ?? ?? ???has ADP max/min Ratio .....? ?? ???6.1 prolatPLAT213_ALERT_2_A Atom N12? ?? ?? ?? ? has ADP max/min Ratio .....? ?? ? 12.4 prolatPLAT213_ALERT_2_A Atom C104? ?? ?? ?? ?has ADP max/min Ratio .....? ?? ???5.2 prolatPLAT602_ALERT_2_A VERY LARGE Solvent Accessible VOID(S) in Structure? ?? ???! Info查看更多8个回答 . 1人已关注
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