Subject: errors of exp. data?

From: Ho Young Jeong <[email-masked]>
Date: Mon, 1 Dec 1997 10:23:51 -0900 (PST)

Dear CCL,

I'm interested in the accuracy of QM calculations comparing with experimental
data such as structural pharameters from x-ray or neutron diffraction. I 
think that QM is able to accuire the rightness when being within the errors
of experimental data though it uses small basis set or low level theoretical
method. Thus, it is very important to know the error range of exp. data. I
saw several postings in CCL about this problem, but they are not sufficient
for me. For examples, error order is 0.01 A and 1 degree for bond length and
angle respectivley. right? I know it can be variable under the experimental
conditions, but hope your response provide much insight into the further
theoretical studies. If possible, write down the references please.

Thank you in advance,

Ho Young.

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