Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.88
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 8.29 Ratio
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 3436
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 3926
Completeness (_total/calc) 87.52%
PLAT022_ALERT_3_B Ratio Unique / Expected Reflections too Low .... 0.88
Alert level C
ABSMU01_ALERT_1_C The ratio of given/expected absorption coefficient lies
outside the range 0.99 <> 1.01
Calculated value of mu = 2.058
Value of mu given = 1.980
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.
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.27
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pd -- S1 .. 5.66 su
PLAT245_ALERT_2_C U(iso) H8 Smaller than U(eq) C8 by ... 0.01 AngSq
PLAT245_ALERT_2_C U(iso) H9 Smaller than U(eq) C9 by ... 0.01 AngSq
PLAT051_ALERT_1_C Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 3.92 Perc.
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 .... ?
2 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 7 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 4 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
