xcal_raman 0.1.5

This module provides functions for wavenumber calibration of Raman spectrometers. Currently it works only with binary SPE files, produced, for example, by winspec (Princeton Instruments software). Supported substances so far are polystyrene and cyclohexan (or any other, if you have a table with Raman shifts and 15 minutes of time).

One of the key features is that the script provides a detailed report of calibration in PDF format with a lot of plots.

Typical usage looks like this:

#!/usr/bin/env python

import xcal_raman as xcal
import winspec
cal_f, p = xcal.calibrate_spe("polystyrene.SPE", "dark.SPE",
                              material="polystyrene", figure=figure())
savefig("xcal-report-polystyrene.pdf")
# We have calibration function, lets plot spectrum of some substance
s = winspec.Spectrum("substance.SPE")
s.background_correct("dark.SPE")
plot(cal_f(s.wavelen), s.lum)
xlabel("Wavenumber, cm$^{-1}$")
ylabel("Counts")