Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.94
PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 12
Alert level C
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.278
RINTA01_ALERT_3_C The value of Rint is greater than 0.12
Rint given 0.162
PLAT020_ALERT_3_C The value of Rint is greater than 0.12 ......... 0.16
PLAT084_ALERT_2_C High R2 Value .................................. 0.28
PLAT213_ALERT_2_C Atom C20 has ADP max/min Ratio ..... 3.70 oblat
PLAT230_ALERT_2_C Hirshfeld Test Diff for C10 -- C11 .. 6.14 su
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C10
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.44
PLAT024_ALERT_4_C Merging of Friedel Pairs is Indicated .......... !
PLAT234_ALERT_4_C Large Hirshfeld Difference O2 -- C20 .. 0.18 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference O8 -- C31 .. 0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C9 -- C10 .. 0.17 Ang.
Alert level G
REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to
determine absolute structure in a light-atom
study EXCEPT under VERY special conditions.
It is preferred that Friedel data is merged in such cases.
From the CIF: _diffrn_reflns_theta_max 25.02
From the CIF: _reflns_number_total 4596
Count of symmetry unique reflns 2942
Completeness (_total/calc) 156.22%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1654
Fraction of Friedel pairs measured 0.562
Are heavy atom types Z>Si present no
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large.. 0.15
PLAT791_ALERT_4_G The Model has Chirality at C2 (Verify) .... R
PLAT791_ALERT_4_G The Model has Chirality at C3 (Verify) .... R
PLAT791_ALERT_4_G The Model has Chirality at C4 (Verify) .... S
PLAT791_ALERT_4_G The Model has Chirality at C5 (Verify) .... S
PLAT791_ALERT_4_G The Model has Chirality at C6 (Verify) .... R
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 7 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 10 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
