MW AVAILABLE FOR COMPONENT C32 IS DIFFERENT FROM MW CALCULATED

mingmeiKing · 发表于 2021-6-25 10:52:24

第一次遇见这种错误，说是计算值与数据库中的值不一样

   MW AVAILABLE FOR COMPONENT C32 IS DIFFERENT FROM MW CALCULATED
   FROM FORMULA (ATOMNO/NOATOM).  CALCULATED VALUE IS USED.
   AVAILABLE MW = 450.8660    CALCULATED MW = 450.8760

   MW AVAILABLE FOR COMPONENT C36 IS DIFFERENT FROM MW CALCULATED
   FROM FORMULA (ATOMNO/NOATOM).  CALCULATED VALUE IS USED.
   AVAILABLE MW = 506.9730    CALCULATED MW = 506.9836

这个怎么解决啊

tdl522 · 发表于 2021-6-25 10:52:24

把自定义的MW删除掉。系统自动计算。

mingmeiKing · 发表于 2021-6-25 10:52:24

tdl522 发表于 2021-6-25 11:12
把自定义的MW删除掉。系统自动计算。

谢谢，可是具体要如何删除？我在手动删除了review里C32和C36的分子量，重新运行还是不行。

banknation · 发表于 2021-6-25 10:52:24

本帖最后由 banknation 于 2021-6-26 07:52 编辑

只能删除这个组分，重新输入

MW AVAILABLE FOR COMPONENT C32 IS DIFFERENT FROM MW CALCULATED

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