nmrglue.spinsolve

Functions for reading Magritek Spinsolve binary (dx/1d) files and parameter (acqu.par/proc.par) files.

This modules is imported as nmrglue.spinsolve and can be called as such.

User Information

User Functions

These are functions which are targeted for users of nmrglue.

`read`([dir, specfile, acqupar, procpar])	Reads spinsolve files from a directory When no spectrum filename is given (specfile), the following list is tried, in that specific order ["nmr_fid.dx", "data.1d", "fid.1d", "spectrum.1d", "spectrum_processed.1d"] To use the resolution enhanced spectrum use the './Enhanced' folder as input.
`guess_udic`(dic, data)	Guess parameters of universal dictionary from dic, data pair.

Developer Information

Spinsolve is the software used on the Magritek benchtop NMR devices.

A spectrum is saved in a folder with several files. The spectral data is stored in these files: ‘data.1d’ (FID), ‘spectrum.1d’ (Fourier transformed) and ‘spectrum_processed.1d’ (FT + processed by spinsolve) Optional spectral data (System->Prefs->Setup->Global data storage): ‘nmr_fid.dx’ (FID stored in JCAMP-DX standard <http://www.jcamp-dx.org/>), ‘spectrum.csv’ and ‘spectrum_processed.csv’ (FT + processed by Spinsolve with ppm for each point and intensity delimited by ‘;’) Other files: ‘acqu.par’ - all parameters that are used for acquisition ‘protocol.par’ - text file used to reload data back into the Spinsolve software ‘processing.script’ - text file to transfer Spinsolve software protocol settings into MNOVA

The Spinsolve Expert software has a slightly different output: [Needs to be double checked as I do not have access to this software -LCageman] - Output into JCAMP-DX is not possible - ‘spectrum_processed.1d’ is not generated - (new) ‘fid.1d’ - seems to be the same as ‘data.1d’ - (new) ‘proc.par’ - contains processing parameters in the same style as ‘acqu.par’ - (new) .pt1 files - seem to be plot files specific for the expert software, cannot be read by NMRglue

Developer Functions

These functions are typically not used directly by users. Developers who want fine control over Spinsolve files may be interested in these functions.

`parse_spinsolve_par_line`(line)	Parse lines in acqu.par and return a tuple (paramter name, parameter value)
`get_udic_from_acqu_dict`(param)	Returns an udic from the parameters in acqu dictionary provided.
`get_udic_from_jcamp_dict`(param)	Returns an udic from the parameters in the JCAMP-DX dict provided.