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【討論】這個(gè)審稿意見應(yīng)該怎樣處理。
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文章有消息了，編輯給了個(gè)大修，有個(gè)審稿意見我不知怎樣處理，怎樣回答提問。謝謝各位 1 As with compounds 1 and 2, from the large sizes of the Ueq and Uii values for the unit-occupancy water oxygens O5, O6 and O7 it would seem likely that these water molecules may be only present with partial occupancy and should have their occupancy parameters refined as free variables. 2 The water oxygen O7 has been assigned 0.5 occupancy but from the large sizes of the Ueq and Uii values for this half-occupancy water O7 atom it would seem likely that it may be only present with a much smaller partial occupancy. and should have the partial-occupancy parameter refined as a free variable. 3 We see from the CIF that 30 restraints were used in the refinement. We should be told - at least in the "_refine_special_details" section of the CIF or in the ESI text - exactly what these restraints were and why they were necessary. 4 Note also that the space group Pnma chosen by the authors is not uniquely determined by the systematoc absences which also allow space group to be an alternative setting of Pna2~1~ with no crystallographically imposed symmetry. Was structure solution and refinement in this space group considered?? |
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