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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 SYMM003_ALERT_1_A _symmetry_space_group_name_H-M is missing Space-group symbol, including unique axis. The following tests will not be performed. CELLZ_01,CHEMW_03,REFLT_03,SYMMG_01,SYMMG_02 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 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. 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. ABSTM02_ALERT_3_A Test not performed as the _exptl_absorpt_correction_type has not been identified. See test ABSTY_01. 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 PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O1W PLAT043_ALERT_1_A Check Reported Molecular Weight ................ 117.72 PLAT044_ALERT_1_A Calculated and Reported Dx Differ .............. ? PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 50.08 Perc. PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing .. ? PLAT053_ALERT_1_A Minimum Crystal Dimension Missing (or Error) ... ? PLAT054_ALERT_1_A Medium Crystal Dimension Missing (or Error) ... ? PLAT055_ALERT_1_A Maximum Crystal Dimension Missing (or Error) ... ? PLAT078_ALERT_1_A No H-atoms, but _solution_hydrogens reported as geom PLAT079_ALERT_1_A No H-atoms, but _hydrogen_treatment reported as mixed PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ ? --------------------------------------------------------------------------------Alert level B CHEMS01_ALERT_1_B The sum formula contains elements in the wrong order. H precedes B Sequence must be C, H, then alphabetical. REFNR01_ALERT_3_B Ratio of reflections to parameters is < 8 for a non-centrosymmetric structure, where ZMAX > 18 sine(theta)/lambda 0.5595 Proportion of unique data used 1.0000 Ratio reflections to parameters 7.6190 THETM01_ALERT_3_B The value of sine(theta_max)/wavelength is less than 0.575 Calculated sin(theta_max)/wavelength = 0.5595 PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem... 2 PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem... 2 PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem... 2 PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem... 2 PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem... 2 PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem... 2 -------------------------------------------------------------------------------- |
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