No offense taken (we all have our dour moments!), but grant me a
sincere question: the f" occupancy value would have been just as close
at 11 as 5 if the true value were 8, am I correct? In other words, do
you imply by saying "doing well" that you got as *much* as 5, or that
you got as *close* as 5? I am just trying to see whether I understand
these things correctly.
Jacob
On Wed, Jun 6, 2012 at 12:21 PM, Gerard Bricogne <g...@globalphasing.com> wrote:
> Dear Jacob and all,
>
> I realise that my last statement sounds awfully dour and dismissive, in
> a way I really didn't intend. Especially as Stefan's original posting was a
> "Fun Question".
>
> Apologies to all for this over-the-top statement. I enjoyed a lot of
> the replies.
>
>
> With best wishes,
>
> Gerard.
>
> --
> On Wed, Jun 06, 2012 at 06:09:33PM +0100, Gerard Bricogne wrote:
>> Dear Jacob,
>>
>> I thought that getting 5 for each iodine was doing pretty well, given
>> the circumstances - e.g. the noisy measurements, the primitive software
>> running on slow computers with tiny amounts of memory, etc. .
>>
>> In any case my main point, directed at the original poster, was that
>> reading the early Acta Cryst. issues ("RTFL") might be an alternative and
>> perhaps more enlightening way of getting a picture of the evolution of
>> phasing methods than finding some clever filter settings in the RCSB ;-) .
>>
>>
>> With best wishes,
>>
>> Gerard.
>>
>> --
>> On Wed, Jun 06, 2012 at 11:08:37AM -0500, Jacob Keller wrote:
>> > ...Even with such primitive techniques, I can remember an HgI4
>> > > derivative in which you could safely refine the "anomalous occupancies"
>> > > (i.e. f" values) for the iodine atoms of the beautiful planar HgI3 anion
>> > > to
>> > > 5 electrons.
>> >
>> > I am surprised--f"'s of I and Hg are supposed to be around 8 for CuKa
>> > (or maybe you weren't using CuKa)?
>> >
>> > JPK
>> >
>> >
>> > --
>> > *******************************************
>> > Jacob Pearson Keller
>> > Northwestern University
>> > Medical Scientist Training Program
>> > email: j-kell...@northwestern.edu
>> > *******************************************
>
> --
>
> ===============================================================
> * *
> * Gerard Bricogne g...@globalphasing.com *
> * *
> * Global Phasing Ltd. *
> * Sheraton House, Castle Park Tel: +44-(0)1223-353033 *
> * Cambridge CB3 0AX, UK Fax: +44-(0)1223-366889 *
> * *
> ===============================================================
--
*******************************************
Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
email: j-kell...@northwestern.edu
*******************************************
