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Spectrum metadata

Spectrum files are the main data type stored by NMRprime. To promote interoperability, a number of metadata options are provided. This guide provides additional information on some of these options.

General properties

Name Description
Name User-defined entry name. Can consist of 2-256 characters (A-Z, a-z, 0-9, spaces and special characters .,;&/()@_-). Additionally, a standardized name is generated for each file, which can be seen on the file's info page.
Notes Free-form text (with formatting options available) for any important details not captured within other metadata options.

Spectrum properties

Name Description
Spectrum type Name of NMR experiment used. If the required type is not available in the list, please get in touch with us at the address listed on our help page.
Tags File tags denoting additional machine-readable properties. See our file tags guide for further information and a list of currently available tags.
Axis labels Assignment of data axes within file to nucleus types.
Folding/aliasing Allows specification of a single axis that has been "folded" into the rest of the spectrum, and whether only positive, only negative, or all peaks were affected by this. If unsure or if multiple axes are folded, please simply select the default "Other/unspecified" option.

Experimental conditions

Name Description
Copy buttons Allow copying of conditions (section "Experimental conditions" only) from another spectrum to the current one, or from the current one to all others.
Isotope labeling Specification of labelled nuclei. Multiple patterns can be selected (e.g. "uniform 13C" and "uniform 15N") by clicking on them in the dropdown list, or by entering a pattern manually and pressing Enter.
Concentration (mM), Temperature (K), pH Physical conditions of sample
Spectrometer model Make of spectrometer (frequency not needed, as listed separately)
Nominal 1H frequency Frequency of spectrometer (should be detected automatically from uploaded file). Can be edited by clicking the small button next to the text field if incorrect.