Draft definition for _diffrn_measurement.specimen_adhesive

James Hester jamesrhester at gmail.com
Wed Jul 8 03:06:25 BST 2020


Here is an updated definition for the specimen attachment data names,
taking into account comments from here and at Github. Further comments
welcome, if none are forthcoming I will add these definitions to the core
dictionary.

save_diffrn_measurement.specimen_attachment_type
_definition.id     '_diffrn_measurement.specimen_attachment_type'
_description.text
;
The way in which the sample is attached to the sample holder, including the
type of adhesive material used if relevant. If
the attachment method is not included in the list below, 'Other' should be
chosen and details provided in
_diffrn_measurement.specimen_attachment_special_details.
;
_type.contents       Code
loop_
_enumerated_set.case
_enumerated_set.detail
epoxy            "An epoxy glue"
oil                  "A viscous oil"
frozen_liquid  "A frozen liquid, not water or oil"
magnet          "Sample is held in place by magnetic field"
clay               "Modelling clay"
other             "A method not listed here"
ice                 "The specimen is frozen in place using water ice"

save_

save_diffrn_measurement.specimen_attachment_details
_definition.id     '_diffrn_measurement.specimen_attachment_details'
_description.text
;
A description of the method of attachment of the sample to the sample
holder. The general method of attachment
should be described using _diffrn_measurement.specimen_attachment_type
;
loop_
_description_example.case
"UHU Super Glue ultrafast gel"
"Fluorinert"
"Plasticine"
"Sample was held tightly by a custom aluminium wire framework attached to
the sample holder"

save_




On Tue, 23 Jun 2020 at 22:36, Peter Murray-Rust <pm286 at cam.ac.uk> wrote:

> Possible typo?
> https://en.wikipedia.org/wiki/Fluorinert
>
> On Tue, Jun 23, 2020 at 7:10 AM James Hester via coreDMG <coredmg at iucr.org>
> wrote:
>
>> Dear Core DMG,
>>
>> Please see the following proposed new definition for describing the
>> adhesive used to attach a single crystal specimen to a capillary or other
>> sample holder attached to a goniometer head. I have provided one definition
>> that selects from an enumerated list, useful for machine processing, and
>> another that allows free-form text so that brand names and other details
>> can be included.  If you know of any methods of adhesion that are not
>> covered in the following list, please contribute them, and if I have
>> suggested anything that is not used in practice, please let me know.
>>
>> ====
>> save_diffrn_measurement.specimen_adhesive_type
>> _definition.id     '_diffrn_measurement.specimen_adhesive_type'
>> _description.text
>> ;
>> The type of the adhesive material used to attach the sample to a sample
>> holder.
>> ;
>> loop_
>> _enumerated_set.case
>> _enumerated_set.detail
>> Epoxy            "An epoxy glue"
>> Oil                  "A viscous oil"
>> Frozen_Liquid  "A frozen liquid, not water or oil"
>> Magnet          "Sample is held in place by magnetic field"
>> Clay               "Modelling clay"
>> .                     "No adhesive used"
>> Ice                 "The specimen is frozen in place using water ice"
>>
>> save_
>>
>> save_diffrn_measurement.specimen_adhesive_details
>> _definition.id     '_diffrn_measurement.specimen_adhesive_details'
>> _description.text
>> ;
>> A description of the method of attachment of the sample to the sample
>> holder. The general method of attachment
>> should be described using _diffrn_measurement.specimen_adhesive_type
>> ;
>> loop_
>> _description_example.case
>> "UHU Super Glue ultrafast gel"
>> "Flourinert"
>> "Plasticine"
>> "Sample was held tightly by a custom aluminium wire framework attached to
>> the sample holder"
>>
>> save_
>> ====
>> --
>> T +61 (02) 9717 9907
>> F +61 (02) 9717 3145
>> M +61 (04) 0249 4148
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>>
>
>
> --
> "I always retain copyright in my papers, and nothing in any contract I
> sign with any publisher will override that fact. You should do the same".
>
> Peter Murray-Rust
> Reader Emeritus in Molecular Informatics
> Unilever Centre, Dept. Of Chemistry
> University of Cambridge
> CB2 1EW, UK
> +44-1223-763069
>


-- 
T +61 (02) 9717 9907
F +61 (02) 9717 3145
M +61 (04) 0249 4148
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