Introduction

An integrated concept for post-acquisition spectrum analysis was developed for on-line and off-line applications, which preserves absolute spectral quantification; after the initialising parameter set-up only minimal user intervention is required. This spectral evaluation suite is composed of a sequence of the tasks addressing specifically: cosmic-ray removal, background subtraction and peak analysis / fitting, together with the treatment of 2D CCD array data. Individual steps can also be used on their own or excluded from the chain if so desired. For the background treatment the canonical rolling-circle filter (RCF) algorithm was adopted, but it was coupled with a Savitzky-Golay filtering step on the locus-array generated from a single RCF pass. This novel only-two-parameter procedure vastly improves on the RCF’s deficiency to overestimate the baseline level in spectra with broad peak features. The peak analysis routine developed here is an only-two-parameter (amplitude and position) fitting algorithm, which relies on numerical line shape profiles rather than analytical functions. The overall analysis chain was programmed in National Instrument’s LabVIEW; this allows for easy incorporation of this spectrum analysis suite into any LabVIEW-managed instrument-control and/or data-acquisition environment.

Applications & subVIs

The programme package has been programmed in National Instrument's LabVIEW. A single routines are provided as subVIs for custom use in own applications. In addition, user friendly application suites are included in the packages.

Applications

Astigmatism-array-creator.vi, Spectrum-Processing-Suite.vi

SubVIs

Characterisation-Suite-(Astigmatism)-VI.vi, Copyright-VI.vi, Correction-(Astigmatism)-2D-VI.vi, Dialog-Astigm-VI.vi, Dialog-DeadPixel-VI.vi, Dialog-Median-VI.vi, Dialog-ROI-VI.vi, Dialog-SCARF-VI.vi, Dialog-ShapeFit-VI.vi, Dialog-TCRR-VI.vi, Gaussian-w-offset-VI.vi, Load-Fit-Settings-VI.vi, Load-Input-Files-VI.vi, PeakCalc-VI.vi, Preview-window-VI.vi, Remove-Dead-Pixels-VI.vi, Save-Fit-Settings-VI.vi, SCARF-VI.vi, ShapeFit-VI.vi, SimSpec_(ShapeFit)-VI.vi, Sum-Spectrum-VI.vi, TCRR-VI.vi