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 24.91
From the CIF: _diffrn_reflns_theta_full 24.91
From the CIF: _reflns_number_total 3763
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 4289
Completeness (_total/calc) 87.74%
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 = 0.735
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 14
PLAT430_ALERT_2_C Short Inter D...A Contact O3 .. O3 .. 2.88 Ang.
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 .... ?
PLAT731_ALERT_1_C Bond Calc 2.8518(19), Rep 2.8519(9) ...... 2.11 su-Ra
W1 -I2 1.555 1.555
PLAT952_ALERT_1_C Reported and Calculated Lmax Values Differ by .. 2
Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
From the CIF: _diffrn_reflns_theta_max 24.91
From the CIF: _reflns_number_total 3763
From the CIF: _diffrn_reflns_limit_ max hkl 12. 12. 22.
From the CIF: _diffrn_reflns_limit_ min hkl -9. -4. -22.
TEST1: Expected hkl limits for theta max
Calculated maximum hkl 13. 12. 24.
Calculated minimum hkl -13. -12. -24.
PLAT128_ALERT_4_G Non-standard setting of Space-group P21/c .... P21/n
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 10 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 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
