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田心456

金虫 (小有名气)

应助: 0 (幼儿园)
金币: 838.8
散金: 16
红花: 1
帖子: 57
在线: 58.9小时
虫号: 1402850
注册: 2011-09-15
性别: MM
专业: 配位化学

[求助] 求助如何修改A类错误！！！~~~有悬赏已有1人参与

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
EXPT001_ALERT_1_A  _exptl_crystal_density_diffrn is missing
         Density calculated from unit cell and contents (Mg m-3).
         The following tests will not be performed.
         DENSD_01,DENSX_01
DIFF001_ALERT_1_A  _diffrn_radiation_type is missing
         The radiation type should contain one of the following
         *  'Cu K\a'
         *  'Mo K\a'
         *  'Ag K\a'
         *  neutron
         *  synchrotron
         The following tests will not be performed.
         ABSMU_01,ABSTM_02,CRYSS_01,RADNW_01
DIFF002_ALERT_1_A  _diffrn_radiation_wavelength is missing
         Radiation wavelength (A).
         The following tests will not be performed.
         RADNW_01,REFLT_03,REFNR_01,THETM_01
CELL003_ALERT_1_A  _cell_measurement_reflns_used is missing
         Number of reflections used to measure unit cell.
CELL004_ALERT_1_A  _cell_measurement_theta_min is missing
         Minimum theta of reflections used to measure unit cell.
         The following tests will not be performed.
         CELLT_01
CELL005_ALERT_1_A  _cell_measurement_theta_max is missing
         Maximum theta of reflections used to measure unit cell.
         The following tests will not be performed.
         CELLT_01
CELL006_ALERT_1_A  _cell_measurement_temperature is missing
         Measurement temperature (K).
         The following tests will not be performed.
         CELLK_01
EXPT004_ALERT_1_A  _exptl_absorpt_coefficient_mu is missing
         Linear absorption coefficient (mm-1).
         The following tests will not be performed.
         ABSMU_01,ABSTM_02
EXPT005_ALERT_1_A  _exptl_crystal_description is missing
         Crystal habit description.
         The following tests will not be performed.
         CRYSR_01
EXPT009_ALERT_1_A  No crystal dimensions have been given.
         The following tests will not be performed.
         CRYSS_01,CRYSS_02
EXPT108_ALERT_1_A  The magnitudes of the crystal dimensions do not
         match the min, mid and max definitions
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
DIFF003_ALERT_1_A  _diffrn_measurement_device_type is missing
         Diffractometer make and type. Replaces _diffrn_measurement_type.
DIFF005_ALERT_1_A  _diffrn_measurement_method is missing
         Mode of intensity measurement and scan.
DIFF007_ALERT_1_A  _diffrn_reflns_number is missing
         Total number of reflections measured.
         The following tests will not be performed.
         REFLG_01,REFLT_01
REFL001_ALERT_1_A  _reflns_number_total is missing
         Number of symmetry-independent reflections.
         The following tests will not be performed.
         REFLT_01,REFLT_02,REFLT_03,REFNR_01
REFL002_ALERT_1_A  _reflns_number_gt is missing
         Number of reflections > sigma threshold.
         The following tests will not be performed.
         REFLG_01,REFLT_02
REFL004_ALERT_1_A  _reflns_threshold_expression is missing
         Sigma expression for F, F2 or I threshold.
         The following tests will not be performed.
         REFLE_01
DIFF008_ALERT_1_A  _diffrn_reflns_theta_max is missing
         Maximum theta of measured reflections.
         The following tests will not be performed
         REFLT_03,REFNR_01,THETM_01
DIFF013_ALERT_1_A  _diffrn_reflns_limit_h_min is missing
         Minimum h index of measured data.
         The following tests will not be performed
         REFLL_01
DIFF014_ALERT_1_A  _diffrn_reflns_limit_h_max is missing
         Maximum h index of measured data.
         The following tests will not be performed
         REFLL_01
DIFF015_ALERT_1_A  _diffrn_reflns_limit_k_min is missing
         Minimum k index of measured data.
         The following tests will not be performed
         REFLL_01
DIFF016_ALERT_1_A  _diffrn_reflns_limit_k_max is missing
         Maximum k index of measured data.
         The following tests will not be performed
         REFLL_01
DIFF017_ALERT_1_A  _diffrn_reflns_limit_l_min is missing
         Minimum l index of measured data.
         The following tests will not be performed
         REFLL_01
DIFF018_ALERT_1_A  _diffrn_reflns_limit_l_max is missing
         Maximum l index of measured data.
         The following tests will not be performed
         REFLL_01
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.
REFI001_ALERT_1_A  _refine_ls_structure_factor_coef is missing
         The structure factor coefficient should be one of the following
         *  Inet
         *  Fsqd
         *  F
         The following tests will not be performed
         FCOEF_01
REFI003_ALERT_1_A  _refine_ls_R_factor_gt is missing
         R factor of F for reflections > threshold.
         The following tests will not be performed
         RFACG_01
REFI005_ALERT_1_A  _refine_ls_wR_factor_ref is missing
         R factor of coefficient for refinement reflections.
         The following tests will not be performed
         RFACR_01
REFI007_ALERT_1_A  _refine_ls_goodness_of_fit_ref is missing
         Goodness of fit S for refinement reflections.
         The following tests will not be performed
         GOODF_01
REFI009_ALERT_1_A  _refine_ls_number_reflns is missing
         Number of reflections used in refinement.
         The following test will not be performed
         REFNR_01
REFI010_ALERT_1_A  _refine_ls_number_parameters is missing
         Number of parameters refined.
         The following tests will not be performed
         REFNR_01
REFI011_ALERT_1_A  _refine_ls_weighting_scheme is missing
         The weighting scheme should be one of the following
         *  sigma
         *  calc
         The following tests will not be performed
         WEIGH_01
REFI014_ALERT_1_G  _refine_ls_hydrogen_treatment is missing
         Code for H-atom treatment.
         The following tests will not be performed
         HYDTR_01
REFI015_ALERT_1_A  _refine_ls_shift/su_max is missing
         Maximum shift/s.u. ratio after final refinement cycle.
         The following tests will not be performed
         SHFSU_01
REFI017_ALERT_1_A  _refine_diff_density_max is missing
         Maximum value of final difference map (e A-3).
         The following tests will not be performed
         DIFMN_01,DIFMX_01,DIFMX_02
REFI018_ALERT_1_A  _refine_diff_density_min is missing
         Minimum value of final difference map (e A-3).
         The following tests will not be performed
         DIFMN_01,DIFMN_02,DIFMN_03
SYMM005_ALERT_1_A  _symmetry_equiv_pos_as_xyz contains invalid data.
         n.b. Symops such as 'x+0.5,y+0.5,z' are not allowed.
         They should be 'x+1/2,y+1/2,z'.
         The following tests will not be performed.
         CELLZ_01,CHEMW_03,REFLT_03,SYMMG_01,SYMMG_02
SYMM005_ALERT_1_A  _symmetry_equiv_pos_as_xyz contains invalid data.
         n.b. Symops such as 'x+0.5,y+0.5,z' are not allowed.
         They should be 'x+1/2,y+1/2,z'.
         The following tests will not be performed.
         CELLZ_01,CHEMW_03,REFLT_03,SYMMG_01,SYMMG_02
GEOM001_ALERT_1_A  _geom_bond_atom_site_label_1 is missing
         Label identifying the atom site 1.
GEOM006_ALERT_1_A  _geom_angle_atom_site_label_2 is missing
         Label identifying the atom site 2.
GEOM007_ALERT_1_A  _geom_angle_atom_site_label_3 is missing
         Label identifying the atom site 3.
ABSTY01_ALERT_1_A  The absorption correction should be one of the following
         *  none
         *  analytical
         *  integration
         *  numerical
         *  gaussian
         *  empirical
         *  psi-scan
         *  multi-scan
         *  refdelf
         *  sphere
         *  cylinder
PLAT023_ALERT_3_A Resolution (too) Low [sin(theta)/Lambda < 0.6]..    0.00 Deg.
PLAT025_ALERT_1_A Hmin..Lmax Data Incomplete or Missing ..........       ?
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......    0.000
PLAT037_ALERT_1_A _diffrn_reflns_theta_full .......... Not Given .       ?
PLAT038_ALERT_1_A _diffrn_measured_fraction_theta_max  Not Given .       ?
PLAT039_ALERT_1_A _diffrn_measured_fraction_theta_full Not Given .       ?
PLAT044_ALERT_1_A Calculated and Reported Dx Differ ..............       ?
PLAT050_ALERT_1_A Absorption Coefficient mu Missing ..............       ?
PLAT086_ALERT_2_A Unsatisfactory S Value (Too Low or Not Given) ..    0.00
PLAT091_ALERT_1_A No Wavelength found in CIF - 0.71073 Ang Assumed       ?
PLAT095_ALERT_1_A No Residual Density Maximum Given ..............       ?
PLAT096_ALERT_1_A No Residual Density Minimum Given ..............       ?
PLAT197_ALERT_1_A Missing          _cell_measurement_temperature       ?
PLAT198_ALERT_1_A Missing             _diffrn_ambient_temperature       ?
PLAT761_ALERT_1_A CIF Contains no X-H Bonds ......................       ?
PLAT762_ALERT_1_A CIF Contains no X-Y-H or H-Y-H Angles ..........       ?
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