Alert level A
GOODF01_ALERT_2_A The least squares goodness of fit parameter lies
outside the range 0.40 <> 6.00
Goodness of fit given = 0.342
REFLT03_ALERT_3_A Reflection count < 85% complete (theta max?)
From the CIF: _diffrn_reflns_theta_max 24.93
From the CIF: _diffrn_reflns_theta_full 24.93
From the CIF: _reflns_number_total 2633
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 3224
Completeness (_total/calc) 81.67%
RINTA01_ALERT_3_A The value of Rint is greater than 0.25
Rint given 0.594
PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low .... 0.82
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.82
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.
PLAT341_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 .... ?
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 24.93
From the CIF: _reflns_number_total 2633
From the CIF: _diffrn_reflns_limit_ max hkl 8. 16. 18.
From the CIF: _diffrn_reflns_limit_ min hkl -8. 0. 0.
TEST1: Expected hkl limits for theta max
Calculated maximum hkl 8. 16. 20.
Calculated minimum hkl -8. -16. -20.
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large.. 0.14
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 140.16
5 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
