JCAMPDXir.jl

General description

This package is designed to read and write infrared spectra saved in JCAMP-DX (infrared) format. It implements the main functionality to read and write JCAMP-DX files according to the 5.01.

About JCAMP-DX file format

For a detailed overview of the JCAMP-DX infrared format, please refer to JCAMP-DX for infrared

Current state of the package

Currently, the package parses JCAMP-DX files written in (X++(Y..Y)) and (XY...XY) data line formats in a single or multiple blocks (each block must be embraced in ##TITLE...##END). Supported data compression methods:

• for reading: no data compression, integer comression, SQZ,PAC,DIF and DUP (file can use various combinations of these compression formats simultaneously)
• for writing: simple integer compression, the package also supports various x- and y- data units conversions

The package was tested for reading all IR-spectra from python package jcamp

Quick start

import Pkg 
Pkg.add("https://github.com/Manarom/JCAMPDXir.jl.git")
using JCAMPDXir
(x,y,headers,validation) = read_jdx_file(file_name) 
# to read the file, x - x-values, y - y values, headers - file headers, validation - jcamp specification checks

write_jdx_file(x,y,"MKM","TRANSMITTANCE") 
# to write x - and y - data vectors of the sama size