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Hi James,

I would say that 0.333 (in a scientific context) implies that I am
confident about this number up to the third decimal point, i.e. 0.3325
<= x <= 0.3334. This gives you an idea of the precision. 1/3 is not a
scientific format, but a mathematical one, unless for some constraint
you know that value is exactly 1/3, then there is no error associated
with it.

Cheers,
Tim

On 07/23/2014 09:57 PM, James Holton wrote:
> 
> Where is it written that compactness of representation and 
> accuracy/precision are the same thing?  Is 1/3 more or less precise
> than 0.333 ?
> 
> If mmCIF were a binary floating-point format file, there would be
> more "decimal places" in the precision of the stored value for the
> unit cell, despite fitting into only 4 bytes instead of the 13
> bytes of text some seem offended to see below.  Would that be
> better?  Or worse?
> 
> -James Holton MAD Scientist
> 
> On 7/22/2014 4:01 AM, Bernhard Rupp wrote:
>> 
>> I am just morbidly curious what program(s)
>> deliver/mutilate/divine these cell constants in recent cif
>> files:
>> 
>> data_r4c69sf
>> 
>> #
>> 
>> _audit.revision_id     1_0
>> 
>> _audit.creation_date   ?
>> 
>> _audit.update_record   'Initial release'
>> 
>> #
>> 
>> _cell.entry_id      4c69
>> 
>> _cell.length_a      100.152000427
>> 
>> _cell.length_b      58.3689994812
>> 
>> _cell.length_c      66.5449981689
>> 
>> _cell.angle_alpha   90.0
>> 
>> _cell.angle_beta    99.2519989014
>> 
>> _cell.angle_gamma   90.0
>> 
>> #
>> 
>> Maybe a little plausibility check during cif generation  might be
>> ok
>> 
>> Best, BR
>> 
>> PS: btw, 10^-20 meters (10^5 time smaller than a proton) in fact 
>> seriously challenges the Standard Model limits....
>> 
>> ----------------------------------------------------------------------------------------
>>
>>
>>
>> 
Bernhard Rupp
>> 
>> k.-k. Hofkristallamt
>> 
>> Crystallographiae Vindicis Militum Ordo
>> 
>> b...@ruppweb.org <mailto:b...@ruppweb.org>
>> 
>> b...@hofkristallamt.org <mailto:b...@hofkristallamt.org>
>> 
>> http://www.ruppweb.org/
>> 
>> -----------------------------------------------------------------------
>>
>
>> 
> 

- -- 
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

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