Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.88
Alert level B
REFLT03_ALERT_3_B Reflection count < 90% complete (theta max?)
From the CIF: _diffrn_reflns_theta_max 24.98
From the CIF: _diffrn_reflns_theta_full 24.98
From the CIF: _reflns_number_total 1323
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 1511
Completeness (_total/calc) 87.56%
PLAT022_ALERT_3_B Ratio Unique / Expected Reflections too Low .... 0.88
Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
identifier.
unk
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 = 0.763
PLAT213_ALERT_2_C Atom C2 has ADP max/min Ratio ..... 3.60 oblat
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 10
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
PLAT793_ALERT_4_G The Model has Chirality at C3 (Verify) .... S
PLAT793_ALERT_4_G The Model has Chirality at C5 (Verify) .... R
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 8 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 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
