Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.90
Alert level C
PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O6
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 5
PLAT024_ALERT_4_C Merging of Friedel Pairs is Indicated .......... !
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 3205
Count of symmetry unique reflns 2104
Completeness (_total/calc) 152.33%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1101
Fraction of Friedel pairs measured 0.523
Are heavy atom types Z>Si present no
PLAT791_ALERT_4_G The Model has Chirality at C17 (Verify) .... R
PLAT791_ALERT_4_G The Model has Chirality at C18 (Verify) .... S
PLAT791_ALERT_4_G The Model has Chirality at C20 (Verify) .... R
PLAT791_ALERT_4_G The Model has Chirality at C21 (Verify) .... S
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
