Sheet 1: MEM_FileFormatsInUseAtChemistry

	
	
	
	
	

		
File formats in use at Chemistry survey 2017-18
		


		


		


	
	

		
Which 'proprietary' file formats do you use in your research? E.g. NMR data in TopSpin format.
		
If you know of any 'open' formats for the 'proprietary' ones you use, please list them below. E.g. you can convert NMR data from TopSpin to the open data format JCAMP-DX.
		
If you know of any 'open' source or 'open' data standards that are available in your research, please list them below. E.g. CIF (Crystallographic Information Framework)
		
Do you know how to assign a licence to your work so that it can be shared and re-used by other researchers? E.g. Creative Commons license.
	
	

		
Origin files opj
		


		


		
No
	
	

		
N/A
		
N/A
		
N/A
		
No
	
	

		
all word/excel/powerpoint
		


		


		
No
	
	

		
None. All in csv/txt/png
		
n/a
		


		
No
	
	

		
Met Office Unified Model "ancillary", "astart",  "dump", "fieldsfile" and "pp" file formats.
		
netCDF3 and/or netCDF4 
		
cf standard: http://cfconventions.org/
		
Yes
	
	

		
Lumerical; MATLAB; Microsoft office;
		
Csv
		


		
Yes
	
	

		
Electrochemistry Data in "IviumSoft" format (data type from manufacturer)
		
You can convert the data into simple ASCII files
		


		
No
	
	

		
.SPA .XRDML .DM3 .EMI .SER 
		
.CSV .TIFF
		


		
No
	
	

		
Most of my data is in .txt or excel
		
I didn't know open formats for data existed
		


		
No
	
	

		
.dm3 (digital micrograph), .dts (malvern zetasizer), .lif (leica confocal)
		
.dm3 can be turned into images (peg, tiff etc), Leica has a free version of their software
		


		
No
	
	

		
NMR data in topspin format
		
Jcamp-dx
		
No
		
No
	
	

		
none
		
none
		
CIF, XYZ, VASP-POSCAR/CONTCAR, VASP-XML
		
No
	
	

		
Topspin, xrdml for XRD (can be converted with PowDLL)
		
JCAMP-DX. 
		


		
Not sure
	
	

		
word .docx; chemdraw .cdx
		
no
		
InChI, RInChI, .mol (possibly)
		
Not sure
	
	

		
.opj (Origin)
		


		
.txt
		
No
	
	

		
We store our nmr data in Topspin format
		
Topspin can save files in JCAMP-DX format that some reader applications can open. Other analytical techniques may also be able to save JCAMP files. 
		


		
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CC BY 4.0 Clair Castle