Characteristics:
Processing, Analysis and Presentation Software for
Photoelectron spectra (XPS, ARXPS),
Xray absorption spectra (XAS, NEXAFS, XMCD),
Auger electron spectra (AES, SAM) and
RAMAN spectra
General:
 32bit program based on MS Windows 32bit and 64bit operating systems
 Using of 3 GByte main memory by setting of the 'Large Area Adress Flag'
 Simultaneous display and handling of up to 75600 windows
 Individual preferences (curve fitting, layout, graph display, and printing etc.)
 Quantification using sensitivity factors saved in different data banks
Processing:
The following processing steps are available for the active spectrum window, selected or all spectra windows:
 Undo function (for one processing step)

Copy/Paste function

Charge compensation
 Correction with the calculated transmission function (IERF)
 Smoothing using a different number of average points
 Differentiation using a different number of average points
 Integration
 Background calculation/subtraction by different models (polynomial, Shirley, Touugaard)
 Background of XPS, AES and RAMAN: combination of Shirley, Tougaard and polynomial
 Background of XAS: combination of Error and Arc tan functions with a polynomial
 Expansion/Reduction of the energy range of the spectrum
 Mirroring on xaxis
 Spike correction
 Spectrum manipulation (energy and intensity modification)
 Spectrum operation (addition, subtraction, multiplication and division of spectra)
 Normalization
Peak fit:
 Curve fitting algorithm of Marquardt
 Max. 30 component curves (60 component curves using doublets) available
 Product, sum or convolution of Gaussian and Lorentzian functions
 Absolute or relative fit parameters
 Background simulation integrated in the fitting procedure
 Calculation of fit parameter errors
 Valenceband edge estimation using convolution of square root and Gaussian functions
 Fermi edge estimation using convolution of Theta and Gaussian functions
 Plot of fit parameters with respect to batch parameters
 Calculation of inelastic electron scattering crosssections
Batch processing:
The following processing steps are available for selected spectra windows:
 Batch processing using the processing steps and peak fit of the activated spectrum window
 Plot, export and saving of the fit parameters
 Printing out and export of the fitparameter uncertainties
 Plot 3D Waterfall 0°
 Pot 3D Waterfall 0° Plus (fitted spectra)
 Plot 3D Waterfall 45°
 Plot 3D Waterfall 45°
 Plot 3D Colour Profile
For multipoint measurements (X and Y recording positions have to be defined):
 XY 3D Plot 45°
 XY 3D Plot 45°
 XY 3D Colour Profile
 XY 3D 45° Colour Profile
 XY 3D 45° Colour Profile
The resolution of the presentation can be improved manually.
Peak ID/Quantification/Chemical Analysis:
 Quantification from surveys, narrow scans or fitted spectra
 Using empirical sensitivity factors (e.g. Wagner) or theoretical values
 Plot of the quantification results with respect to batch parameters
 Convenient export of the quantification results
 Estimation of film thickness using two methods (ARXPS and ERXPS)
 Quantification of Auger electron spectra using peaktopeak values or background free areas
 Option for the 100 at% calculation values with respect to all peaks or to the peaks with the same batch parameter
 Tool for the estimation of the AES emission yield
 Peak indentification is supported by a data bank with 1500 XPS lines and AES transitions
 Chemical shifts of 325 XPS lines and AES transitions for the chemical analysis are saved
Input/Output:
 Input routines for 350 different XPS, AES, XAS and RAMAN data and user demand formats
 Reading of XAS spectra with nonequidistant step width
 Reading of RAMAN spectra with nonequidistant step width (wave number)
 XAS input with implemented sorting subroutine of the data
 XAS input with variable manual defined start and end energies
 Not available data are calculated using interpolation
 Batch loading of measurement files of different data formats
 Saving and loading of projects
 the last five used projects are displayed simultaneously an can be loaded quickly
 Comfortable data export of all windows created with Unifit
 Copy – Paste function for monitor presentation, quantification, and fitparameter table
 High resolution export (1200 dpi) using all commonly used formats (jpg, tif, emf, gif, …)
Windows:
 Saving of window size and position in the UNIFIT projects
 Manual changing of window size and position
 Direct selection and activation of the windows, particularly next or previous ones
 Cascade and two different tile arrangements of the windows
 Exchanging function for two standard windows
 Spectrum windows can be generated hidden or visible
 Layout of controls have the common Windows design
Specials:
 Calibration of intensity scale with four different methods
 Integrated databases of Auger parameters, line positions and doublet data
 Extensive graphical design tools
 Fill colours for the fitting component areas
 Autosave function for the UNIFIT projects, five backup files are stored
 Adjustment of the maximal number of the general programme parameters on the used computer system
 Tougaardbackground calculation of measurements of inhomogeneous samples
 FiveParameter Inelastic Electron Scattering Cross Section for a better simulation of the loss structure
 Dynamical presentation of parameter dependent measurements with tool 'Show Windows Video Sequence'

Saving of processing steps and design features for a later reloading and using of similar data (template).
 Automatic spike correction (important feature for RAMAN spectra)
 Generation of animated GIFfiles for the implementation into PowerPoint presentations
PowerPointPresentation  UNIFIT2024  The Improved Spectrum Processing, Analysis and Presentation Software for XPS, AES, XAS and RAMAN Spectroscopy or
How to Actually Use Unifit (pptx)
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