Alert level B
DIFMX01_ALERT_2_B The maximum difference density is > 0.1*ZMAX*1.00
_refine_diff_density_max given = 0.806
Test value = 0.800
PLAT097_ALERT_2_B Maximum (Positive) Residual Density ............ 0.81 e/A**
Alert level C
DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75
The relevant atom site should be identified.
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.286
PLAT084_ALERT_2_C High R2 Value .................................. 0.29
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.01
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 7
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 200 Deg.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Labels .......... 2
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
C5 H9 N2
Alert level G
PLAT793_ALERT_4_G Check the Absolute Configuration of C2 ..... S
PLAT793_ALERT_4_G Check the Absolute Configuration of C3 ..... S
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 3 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 2 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
