權重也要一并精修的

我?guī)湍闾幚砹艘幌�，Shift消下去了，之前在氧上多加了一個氫，R值也降了不少。

僅從R1，wR2來看，F(xiàn)e的數(shù)據(jù)是最好的，但是這也不能說明一定是Fe，結果僅供參考。

鏈接: https://pan.baidu.com/s/1DyEwzWeVdfQUz46R2jTr8A 提取碼: zdkf 復制這段內(nèi)容后打開百度網(wǎng)盤手機App，操作更方便哦

投稿新晶體結構(ncs,德國雜志，收費大概4600元，sci，IF0.3左右)
投稿被拒，編輯提出：
1. The ellipsoid of the the central metal ion is really large and the difference density around this atom is negative .

2. Thus I tested a few lighter atom types. And I was able to reduce the R-factors significantly.

3. After assignment of a lighter atom I was able to verify that the H atom at least at one water atom is wrongly assigned.
從第三條 他說 我原來像你一樣去掉一個氫 他感覺不對  他說他能加上氫。