Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............ 0.00 Deg.
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.00
PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing .. ?
Alert level B
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.18 Ratio
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C14
Alert level C
WEIGH01_ALERT_1_C Extra text has been found in the
_refine_ls_weighting_scheme field. This should be in the
_refine_ls_weighting_details field.
Weighting scheme given as calc w=1/[\s^2^(Fo^2^)+(0.1145P)^2^+0.0000
Weighting scheme identified as calc
PLAT213_ALERT_2_C Atom C14 has ADP max/min Ratio ..... 3.40 prola
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C12 -C17 1.37 Ang.
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 12
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H1
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H2
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H3
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H4
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H7
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H8
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H9
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H10
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H11
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H13
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H14
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H15
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H16
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H17
PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum .... ?
PLAT195_ALERT_1_C Missing _cell_measurement_theta_max datum .... ?
PLAT196_ALERT_1_C Missing _cell_measurement_theta_min datum .... ?
Alert level G
GOODF01_ALERT_1_G _refine_ls_goodness_of_fit_obs is an old dataname which has
been superceded by _refine_ls_goodness_of_fit_ref
REFLE01_ALERT_1_G _reflns_observed_criterion is an old dataname which has been
superceded by _reflns_threshold_expression
REFLG01_ALERT_1_G _reflns_number_observed is an old dataname which has been
superceded by _reflns_number_gt
RFACG01_ALERT_3_G _refine_ls_R_factor_obs is an old dataname which has been
superceded by _refine_ls_R_factor_gt
RFACR01_ALERT_3_G _refine_ls_wR_factor_obs is an old dataname which has been
superceded by _refine_ls_wR_factor_ref
SHFSU01_ALERT_2_G _refine_ls_shift/esd_max is an old dataname which has been
superceded by _refine_ls_shift/su_max
PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 5.00 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2
PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct. 14
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
PLAT808_ALERT_5_G No Parsable SHELXL style Weighting Scheme Found !
3 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 23 ALERT level C = Check and explain 12 ALERT level G = General alerts; check 10 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 15 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
