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金虫 (小有名气)

应助: 6 (幼儿园)
金币: 339.5
红花: 1
帖子: 145
在线: 178.6小时
虫号: 2132877
注册: 2012-11-18
性别: MM
专业: 无机材料化学

[求助] 求助这些错误是什么

有没有高手办我看看这些都是什么错误？

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
DIFF005_ALERT_1_A  _diffrn_measurement_method is missing
         Mode of intensity measurement and scan.
DIFF019_ALERT_1_A  _diffrn_standards_number is missing
         Number of standards used in measurement.
DIFF020_ALERT_1_A  _diffrn_standards_interval_count and
         _diffrn_standards_interval_time are missing. Number of measurements
         between standards or time (min) between standards.
DIFF022_ALERT_1_A  _diffrn_standards_decay_% is missing
         Percentage decrease in standards intensity.
--------------------------------------------------------------------------------Alert level C
PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given .....       ? Do !
PLAT220_ALERT_2_C Large Non-Solvent O    Ueq(max)/Ueq(min) ...       3.7 Ratio
PLAT242_ALERT_2_C Check Low    Ueq as Compared to Neighbors for       N4
--------------------------------------------------------------------------------Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite       3
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ...       26
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF       ? Do !
PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........       15
PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............    0.50 Ratio
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.    10.05
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature       293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature       293 K
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  La1 --  O12    ..       5.9 su
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ...................       25 %
PLAT303_ALERT_2_G Full Occupancy H-Atom  H5B with # Connections    2.00
PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: LA1 --  NI2    ..    3.52 Ang.
And 2 other PLAT774 Alerts
More ...PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: LA1 --  NI2    ..    3.52 Ang.
PLAT774_ALERT_1_G Suspect X-Y Bond in CIF: LA1 --  NI1    ..    3.56 Ang.
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #       5
            H2 O
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #       6
            K
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......       494

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