Jcampreadr: Difference between revisions

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===Purpose===
===Purpose===
Reads a JCAMP file into a DataSet object.
Reads a JCAMP file into a DataSet object.
===Synopsis===
===Synopsis===
:data = jcampreadr('filename.dx')
 
:[data,wrn] = jcampreadr(filename,''options'')
 
===Description===
===Description===
Input is the filename of a JCAMP file to read. If omitted, the user is prompted for a file. Currently this reader will only read files of type:
 
INFRARED SPECTRUM
Input is the filename of a JCAMP file to read. If omitted, the user is prompted for a file. The reader reads files of type:
LINK
 
Output (data) is a DataSet object containing the spectrum or spectra from the file (or an empty array if no data could be read)
:ND NMR SPECTRUM,
:NMR SPECTRUM,
:INFRARED SPECTRUM,
:MASS SPECTRUM,
:RAMAN SPECTRUM,
:GAS CHROMATOGRAM,
:UV/VIS SPECTRUM.
 
including any files written in JCAMP-DX format (with limited support for beta version 6).
 
This importer uses JSpecView, a Java package which enables importing of files written the JCAMP-DX format. JSpecView was developed at the Department of Chemistry of the University of the West Indies, Mona, Jamaica, WI.
JSpecView is described in an article available at:[http://journal.chemistrycentral.com/content/1/1/31  JSpecView].
 
Multiple input files must contain the same axisscale for the wavelength (variables) mode. The imported files are returned in a Dataset Object. If the file contains peaktable(s) they are extracted and stored in the returned DataSet's userdata field.
 
====Optional Inputs====
*'''filename''' = specifies the file(s) to read using:
::'''(a)''' a string specifying a single file to read
::'''(b)''' a cell array of strings specifying multiple files to read
::'''(c)''' the output of the MATLAB "dir" command specifying multiple files to read
:If fname is an empty string or matrix or is not supplied, the user is prompted to identify file(s) to load.
*'''options''' = an optional options structure. See Options below.
               
====Outputs====
 
* '''out''' = takes one of two forms:
# If input is a single file, or multiple files containing data that can be combined (same number of data points, same x-axis range, same type of data), the output is a dataset object,
# If the input consists of multiple files containing data that cannot simply be combined (different number of data points, differing x-axis ranges, etc), the output is either:
::: a) a cell array with a dataset object for each input file if the 'nonmatching' option has value 'cell', or
::: b) a dataset object containing the input data combined using the MATCHVARS function if the 'nonmatching' option has value 'matchvars'.
 
*'''wrn''' = a cell array of warnings issued during the reading of the file.
 
===Options===
Input 'options' is an options structure containing the following fields
*'''display''': <tt>[{'off'}| 'on' ]</tt> Governs display to the command line. Warnings encountered during file load will be supressed if display is 'off'.
*'''waitbar''': <tt>[ 'off' |{'on'}]</tt> Governs display of a progress bar when doing multiple file reading.
* '''nonmatching''': [ 'error' |{'matchvars'} 'cell']  governs behavior when multiple files are being read which cannot be combined due to mismatched types, sizes, etc.
** 'matchvars' returns a dataset object,
** 'cell' returns cell (see Outputs,),
** 'error' gives an error.
 
===See Also===
===See Also===
[[spcreadr]], [[xclreadr]]
 
[[Data Importing Formats]], [[spcreadr]], [[writespc]], [[xclreadr]]

Latest revision as of 14:10, 18 June 2015

Purpose

Reads a JCAMP file into a DataSet object.

Synopsis

[data,wrn] = jcampreadr(filename,options)

Description

Input is the filename of a JCAMP file to read. If omitted, the user is prompted for a file. The reader reads files of type:

ND NMR SPECTRUM,
NMR SPECTRUM,
INFRARED SPECTRUM,
MASS SPECTRUM,
RAMAN SPECTRUM,
GAS CHROMATOGRAM,
UV/VIS SPECTRUM.

including any files written in JCAMP-DX format (with limited support for beta version 6).

This importer uses JSpecView, a Java package which enables importing of files written the JCAMP-DX format. JSpecView was developed at the Department of Chemistry of the University of the West Indies, Mona, Jamaica, WI. JSpecView is described in an article available at:JSpecView.

Multiple input files must contain the same axisscale for the wavelength (variables) mode. The imported files are returned in a Dataset Object. If the file contains peaktable(s) they are extracted and stored in the returned DataSet's userdata field.

Optional Inputs

  • filename = specifies the file(s) to read using:
(a) a string specifying a single file to read
(b) a cell array of strings specifying multiple files to read
(c) the output of the MATLAB "dir" command specifying multiple files to read
If fname is an empty string or matrix or is not supplied, the user is prompted to identify file(s) to load.
  • options = an optional options structure. See Options below.

Outputs

  • out = takes one of two forms:
  1. If input is a single file, or multiple files containing data that can be combined (same number of data points, same x-axis range, same type of data), the output is a dataset object,
  2. If the input consists of multiple files containing data that cannot simply be combined (different number of data points, differing x-axis ranges, etc), the output is either:
a) a cell array with a dataset object for each input file if the 'nonmatching' option has value 'cell', or
b) a dataset object containing the input data combined using the MATCHVARS function if the 'nonmatching' option has value 'matchvars'.
  • wrn = a cell array of warnings issued during the reading of the file.

Options

Input 'options' is an options structure containing the following fields

  • display: [{'off'}| 'on' ] Governs display to the command line. Warnings encountered during file load will be supressed if display is 'off'.
  • waitbar: [ 'off' |{'on'}] Governs display of a progress bar when doing multiple file reading.
  • nonmatching: [ 'error' |{'matchvars'} 'cell'] governs behavior when multiple files are being read which cannot be combined due to mismatched types, sizes, etc.
    • 'matchvars' returns a dataset object,
    • 'cell' returns cell (see Outputs,),
    • 'error' gives an error.

See Also

Data Importing Formats, spcreadr, writespc, xclreadr