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关于晶体解析中PLATON问题
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审稿意见如下： The test for higher cell symmetry you provided does not give any answer as to the problem centrosymmetry/non-centrosymmetry as I told you in my letter. You have to run in PLATON the test CALC ALL and go carefully through the printout. The PLATON input has to be the CIF file (including all coordinates as these are mandatory for the test). In the meantime, I ran these tests myself, and indeed they did not give any evidence for centrosymmmetry. For this case the referee required the REFINED Flack parameter to be included in Table 2 (and a short comment on the procedure in the Exp. Part). I kindly ask you to refine the CONMPLETE parameter set again INCLUDING the Flack parameter and include the MODIFIED results (probably also the R values will change slightly) in Table 2. There will be a NEW CIF file which has to be deposited AGAIN. 我不知道我还用不用用那个PLATON运算什么的，我不是很懂，请教高手帮忙。谢谢了 |
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etongtong
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2楼2008-03-03 17:50:10
raojiaxi2420
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3楼2008-03-03 18:31:20
4楼2008-03-03 21:02:08