Alert level A
REFLT03_ALERT_3_A Reflection count < 85% complete (theta max?)
From the CIF: _diffrn_reflns_theta_max 24.95
From the CIF: _diffrn_reflns_theta_full 24.95
From the CIF: _reflns_number_total 3323
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 3927
Completeness (_total/calc) 84.62%
RINTA01_ALERT_3_A The value of Rint is greater than 0.25
Rint given 0.623
PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low .... 0.85
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.85
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 10.00 Ratio
PLAT413_ALERT_2_A Short Inter XH3 .. XHn H11A .. H11A .. 1.88 Ang.
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.
PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C6 .. 5.02 su
PLAT245_ALERT_2_C U(iso) H1 Smaller than U(eq) B by ... 0.02 AngSq
PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 200 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 .... ?
Alert level G
PLAT128_ALERT_4_G Non-standard setting of Space-group P21/c .... P21/n
6 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 6 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 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
