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[求助]
急尋幫助,晶體解析
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晶體結(jié)構(gòu)方面的新手請教大家一下 我用一臺SAMRT APEX II CCD (主機APEX II 探測器,F(xiàn)rame Buffer PC收數(shù)據(jù)),用WINDOWS 2000下的SHELXTL軟件解結(jié)構(gòu)。 得到的晶體在投稿時,編輯要求提供如下信息: In CIF, all software programs have to be given with the citations, i.e. _exptl_absorpt_process_details 'SADABS (...., ????)' _computing_data_collection 'Bruker SMART (...., ????)' _computing_cell_refinement 'Bruker SMART (...., ????)' _computing_data_reduction 'Bruker SAINT (...., ????)' _computing_molecular_graphics 'Bruker SHELXTL (...., ????)' _computing_publication_material 'Bruker SHELXTL (...., ????)' Also you need to provide the diffractometer's brand name (Bruker, Rigaku ...) in _diffrn_measurement_device_type 'CCD area detector' 請教高手,這樣的信息該如何填寫? 多謝啦! |
至尊木蟲 (著名寫手)
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_exptl_absorpt_process_details 'SADABS ('Sheldrick, 1996)' _computing_data_collection 'Bruker SMART(Bruker, 2007)' _computing_cell_refinement 'Bruker SMART(Bruker, 2007)' _computing_data_reduction 'Bruker SAINT(Bruker, 2007)' _computing_structure_solution 'SHELXS97(Sheldrick, 2008)' _computing_structure_refinement 'SHELXL97(Sheldrick, 2008)' _computing_molecular_graphics 'Bruker SHELXTL(Sheldrick, 2008)' _computing_publication_material 'Bruker SHELXTL(Sheldrick, 2008)' _diffrn_measurement_device_type 'Bruker APEXII CCD' |
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