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山石巖金蟲 (著名寫手)
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[求助]
晶體E編輯意見,急求怎么解決
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本人新手,對晶體一竅不通。最近投了一篇晶體E編輯提出錯誤如下,請大俠們指教怎么改正。錯誤: 1.In the abstract and comments section, could you please provide standard uncertainties for all dihedral angles quoted 2.In '_publ_section_exptl_refinement' you have indicated that the Friedel pairs were merged, This is, in fact, not the case. Friedel pairs were refined in the structure and the absolute configuration determined from this data. Could you please check and correct. 3. In '_publ_section_exptl_refinement' could you provide details of the disorder present in the structure. 4. In '_publ_section_exptl_refinement' could you provide details of the location and refinement of the N-H proton in this compound. 本人是藥物化學專業(yè)的,對這個實在是搞不明白,希望專業(yè)人士幫幫忙啊。要是需要數(shù)據(jù)我發(fā)到你們郵箱里。謝謝。 |
至尊木蟲 (著名寫手)
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CIF中有如下數(shù)據(jù): loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group 其中: _atom_site_occupancy,就是占有率. |
至尊木蟲 (文壇精英)
至尊木蟲 (著名寫手)
金蟲 (著名寫手)
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