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Alert level B DIFMX01_ALERT_2_B The maximum difference density is > 0.1*ZMAX*1.00 _refine_diff_density_max given = 8.222 Test value = 6.900 PLAT052_ALERT_1_B Info on Absorption Correction Method Missing ... ? PLAT093_ALERT_1_B No su's on H-atoms, but refinement reported as . mixed PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density .... 7.61 PLAT097_ALERT_2_B Large Reported Max. (Positive) Residual Density 8.22 eA-3 --------------------------------------------------------------------------------Alert level C DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.10 Ratio PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O5 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O6 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O8 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Tm2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0133 Ang -------------------------------------------------------------------------------- ¼±Çó½â¾ö£¬Çë´ó¼Ò°ï棡£¡ |
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2Â¥2011-12-21 00:10:27
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3Â¥2011-12-21 12:51:06
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5Â¥2011-12-21 15:36:12














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