At 11:54 10/01/2000 +0000, you wrote:
>PS: Has anyone found the error in that Fe3O4 entry yet?
Sorry Jon, the error is IMMEDIATELY apparent if you draw the structure,
and with ICSD-for-WWW you can draw the structure in 3D with two mouse clicks.
Try the Daresbury server in the UK on http://cds3.dl.ac.uk/dif/icsd/icsd.htm
You can also try drawing Fujio Izumi's Pmca structure for comparison.
>But isn't one of the values of a database that it should filter these out
>- or at least point out any problems on the test cards? (eg 16677 in ICSD,
>has the coordinates corrected.) Databases offer a central repository for
>corrections and additions which are much easier to find than corrections
>in later editions of a journal. This seems to be of great value?
As for your disagreement with Armel about whether ICSD should throw out
'wrong' structures, I think it a matter of opinion. In this case I agree
with Armel that the published result should be reported, 'wrong' or not,
but I agree with you that the error should be pointed out if it is noticed :-)
You are asking that Armel go BEYOND the error checking already done.
BTW, the estimate of 15 minutes was made by me in reply to Kenneth (below).
>>"Just" copy ?? I suspect that there is just a little
>>bit more to it than that - tedious data entry, checking for
>>errors, for starters...
>
>Tedious data entry ??? Reminds me of the black and white poster I have
>on the wall. Young 50's lady sitting behind an old Remington typewriter
>with the caption "The Millenium Bug didn't affect Sandra's office" :-)
>
>Seriously when I have a structure paper to review, I scan in the
>co-ordinates table with OmniPage, paste it into Excel, re-arrange
>the columns if necessary, then paste it into my 3D-structure drawing
>and bond-length calculation application. Takes me about 15 minutes.
>And of course recent papers are often available in electronic form.
>
>OK, that's still 10,000+ hours for the ICSD, but then what IS the
>population of China/India in the year 2000 :-)
Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]> tel (33) 4.76.20.72.13
ftp://ftp.ill.fr/pub/dif fax (33) 4.76.20.76.48 http://www.ill.fr/dif/
