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lisj04001铁杆木虫 (著名写手)
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【求助】请问 这么多A类错误 这个数据能用吗？
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The absolute value of parameter shift to su ratio > 0.20 Absolute value of the parameter shift to su ratio given 6.036 Additional refinement cycles may be required.Maximum Shift/Error ............................ 6.04 PLAT211_ALERT_2_A ADP of Atom O1 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O2 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O21 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O23 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O25 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O27 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O30 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O31 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O33 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O34 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O36 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O37 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O41 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O45 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O47 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O50 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O53 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O56 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O59 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O60 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O61 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O62 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O63 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O65 is NPD ..................... ? PLAT211_ALERT_2_A ADP of Atom O68 is NPD ..................... ? PLAT213_ALERT_2_A Atom O24 has ADP max/min Ratio ..... 8.80 prola PLAT213_ALERT_2_A Atom O43 has ADP max/min Ratio ..... 5.10 oblat PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for Ge1 PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O113 PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of . 459.00 A**3 PLAT043_ALERT_1_A Check Reported Molecular Weight ................ 6584.11 PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 47.83 Perc. PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing .. ? PLAT053_ALERT_1_A Minimum Crystal Dimension Missing (or Error) ... ? PLAT054_ALERT_1_A Medium Crystal Dimension Missing (or Error) ... ? PLAT055_ALERT_1_A Maximum Crystal Dimension Missing (or Error) ... ? PLAT078_ALERT_1_A No H-atoms, but _solution_hydrogens reported as geom PLAT079_ALERT_1_A No H-atoms, but _hydrogen_treatment reported as mixed PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ ? |
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2楼2010-04-01 21:10:04
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3楼2010-04-01 21:18:11
xiaochong98
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4楼2010-04-02 08:36:03