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dongdong6930金虫 (正式写手)
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求助cif 文件个错误
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PLAT113_ALERT_2_A ADDSYM Suggests Possible Pseudo/New Space-group. C2/m --------------------------------------------------------------------------------Alert level B DIFMN02_ALERT_2_B The minimum difference density is < -0.1*ZMAX*1.00 _refine_diff_density_min given = -3.844 Test value = -2.900 RINTA01_ALERT_3_B The value of Rint is greater than 0.18 Rint given 0.189 PLAT020_ALERT_3_B The value of Rint is greater than 0.12 ......... 0.19 PLAT098_ALERT_2_B Large Reported Min. (Negative) Residual Density -3.84 eA-3 PLAT110_ALERT_2_B ADDSYM Detects Potential Lattice Centering or Halving . ? PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem... A PLAT341_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 16 --------------------------------------------------------------------------------Alert level C CRYSC01_ALERT_1_C The word below has not been recognised as a standard identifier. henna CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour. DIFMN03_ALERT_1_C The minimum difference density is < -0.1*ZMAX*0.75 The relevant atom site should be identified. DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 2.548 Test value = 2.175 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 0.268 PLAT084_ALERT_2_C High R2 Value .................................. 0.27 PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 2.55 eA-3 |
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5楼2009-09-24 17:54:22
杜一一
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dongdong6930
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