Alert level A
REFLT03_ALERT_3_A Reflection count < 85% complete (theta max?)
From the CIF: _diffrn_reflns_theta_max 25.16
From the CIF: _diffrn_reflns_theta_full 25.16
From the CIF: _reflns_number_total 2102
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 3032
Completeness (_total/calc) 69.33%
PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low .... 0.69
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.69
PLAT213_ALERT_2_A Atom C14 has ADP max/min Ratio ..... 8.50 oblat
Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
identifier.
unknown
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
GOODF01_ALERT_2_C The least squares goodness of fit parameter lies
outside the range 0.80 <> 2.00
Goodness of fit given = 0.633
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 46 Perc.
PLAT057_ALERT_3_C Correction for Absorption Required RT(exp) ... 1.15
PLAT213_ALERT_2_C Atom C3 has ADP max/min Ratio ..... 3.20 oblat
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.39 Ratio
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.32 Ratio
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 9
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 .... ?
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1
C19 H17 Cl3
Alert level G
PLAT793_ALERT_4_G The Model has Chirality at C6 (Verify) .... R
PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R
4 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
