© 2016: Dr. Friedrich Menges Software-Entwicklung Spectroscopy Ninja | Spectrometer Hardware | Spectragryph Software Imprint
[Spectroscopy Ninja]

- optical spectroscopy software -

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Features coloured in green were newly introduced in Spectragryph, the others were already present in Spekwin32 v1.72.2. Most of the features already existing in Spekwin32 were also improved.
Data import
Data & Plot export
Plot/ View
  • Agilent/ Cary 630 FTIR Microlab software (*.asp, *.a2r)
  • AIT/ Analect (*.asf)
  • Amptek XRF spectra (*.mca)
  • Analytik Jena: WinAspect software for Specord spectrometers (*.dat)
  • ANDOR: Solis software (*.sif)
  • Arcoptix spectrum files (*.arcspectro)
  • Ascanis: Lambda-SPX/ VISIONlite software (*.dsp)
  • Audiodev/ NXT ETA-ARC spectrometer (*.spk)
  • Avantes: AvaSoft 6.0, 7.0 software (*.tat, *.tit, *.trt, *.ttt)
  • Avantes Avasoft v6/v7 binary files (*.roh, *.abs, *.trm, *.irr)
  • Avantes: AvaSoft 8.x binary files (*.abs8, *.raw8, *.trm8, *.rfl8, *.irr8, *.abs8x, ...)
  • Avantes: AvaSoft 8.x kinetic series (*.str8)
  • ASD Terraspec reflectance spectra (*.asd, *.sco)
  • Beckman Coulter: DU 600/7000 (*.scn, *.asc)
  • B&W Tec: BWSpec software (*.txt)
  • Bio-Rad: FTS 3000 MX FTIR spectrometer (*.csv)
  • Broadcom/ rgb photonics spectra from Waves software (*.spz)
  • Bruker AXS Handheld Inc. S1PXRF Spektrum (*.csv)
  • Bruker: OPUS software (*.0, *.1, *.2, ...)
  • Bruker: OPUS software data point table (*.dpt)
  • ColVisTec: inline spectrometers (*.wl, *.dat)
  • Edinburgh Instruments fluorescence spectra (*.fs)
  • Enspectr RaPort Raman spectra files (*.esp)
  • FOSS WinISI/ ISIscan NIR spectra (*.nir)
  • GE/ Hewlett Packard: 8453 diode array spectrometer(*.csv)
  • GE/ HP/ Agilent: 8453 Chemstation binary spectra files (*.sd, *.std)
  • GE/ HP/ Agilent: 8453 Chemstation kinetic series (*.kd)
  • GE/ Biochrom: Ultrospec 2100/ SWIFT II (*.wsd)
  • Gemlab: GL Gem Raman (*.fak, *.rruff)
  • Hitachi UV Solutions (*.uds)
  • Horiba: Datamax software(*.prn)
  • Horiba: Labspec Raman spectra (*.ngs)
  • IKS: XDAP (*.spk)
  • IRUBIS FTIR spectra (*.hdf5)
  • JASCO: Spectramanager software (*.jws)
  • UV/VIS, NIR, IR, fluorescence, Raman spectra in JCAMP-DX 4.24/5.00 standard (*.dx, *.jdx)
  • Labcognition Spectracle/ Shimadzu HyperIR binary files (*.uvd, *.irs)
  • Labcognition Spectracle/ Shimadzu HyperIR ASCII files (*.asc)
  • MAS/ EMSA standard file format for XRF/EDS spectra after ISO 22029 (*.msa)
  • Milton Roy: Spectronic 3000 (*.asc)
  • Nicolet 5DX binary files (*.dr1, *.dr2, ...)
  • NT-MDT Spectral Instruments: Raman spectra (*.mdt)
  • Ocean Insight Nanoquest spectra (*.spectrum)
  • Ocean Optics: modular spectrometers (*.procspec)
  • Ocean Optics: OOI LIBS software (*.ols)
  • OLIS SpectraWorks spectra (*.ols)
  • Perkin Elmer: UV/VIS, NIR, FTIR, fluorescence & Raman spectrometers (*.sp)
  • Princeton Instruments: WinSpec 1.6 software ASCII files (*.prn)
  • Renishaw WIRE v4.x Raman spectra (*.wdf)
  • Roper Scientific / Princeton Instruments: WinSpec, WinView, Lightfield (*.spe)
  • RRUFF: Raman mineral database (*.rruff)
  • Scinco: Neosys 2000 UV-Vis spectrometer (*.csv)
  • Shimadzu: UV-1600, UV-1800 spectrometers (*.spc)
  • Spectral Industries IrisCC software (*.hd5)
  • Spectra Vista Corp. HR-1024i reflectance spectra (*.sig)
  • StellarNet: SpectraWiz software (*.abs, *.trm, *.ssm, *.irr, *.lib)
  • Stellarnet Spectrawiz episodic capture multi-files (*.ep1)
  • Thermo Electron: Helios Alpha spectrometer (*.csv)
  • THERMO Fisher: GRAMS software (*.spc)
  • THERMO Fisher: GRAMS Spectral ID spectral database (*.idx, *.itl, *.isl)
  • THERMO Mattson: Genesis/ Galaxy FTIR spectrometers (*.ras, *.abs)
  • THERMO Nicolet: OMNIC FTIR spectrometers (*.spa, *.spg)
  • THERMO Nicolet: OMNIC spectral database files (*.lbt, *.lbd)
  • Thermo Noran: WinTrace XRF spectra (*.spc)
  • USGS: spectral library files (*.asc)
  • Unicam: U450 spectrometer (*.csv)
  • Varian Cary 50 (*.csv)
  • Varian Cary 50, 60, 100, ... binary files (*.dsw, *.bsw)
  • VWR UV-1600PC spectrometer (*.wls)
  • Wasatch Photonics: Enlighten software, ASCII files (*.csv)
  • WTW photoLab spectral (*.csv)
  • Yokogawa NR800 binary files (*.sp2)
  • *.txt files from various sources (two-column single spectrum file)
  • the old Spekwin32 binary file (*.spv) & the new Spectragryph binary file (*.sgd)

Plot export as:

  • Windows Bitmap (*.bmp)
  • Windows Enhanced Metafile (*.emf)
  • Encapsulated Postscript (*.eps)
  • Portable Document Format (*.pdf)
  • Portable Network Graphic (*.png)
  • Scalable Vector Graphic (*.svg)
  • Windows Metafile (*.wmf)

Data export as:

  • THERMO Galactic/GRAMS file (*.spc)
  • JCAMP-DX file (*.dx)
  • FOSS NIR file (*.nir)
  • the old Spekwin32 binary file (*.spv)
  • the new Spectragryph binary file (*.sgd)
  • ASCII file, 2 variations (*.dat and *.csv)
  • RRUFF Raman mineral database (*.rruff)

    Both, plots and data can be copied to the clipboard for insertion into Word, Excel, Powerpoint & the like

Batch export as:

  • single file *.csv, *.dx, *.spc,*.nir, *.sgd (maintain or change filename & path)
  • multi file *.csv, *.dx, *.spc, *.sgd (maintain or change filename & path)

Internal data transfer:

  • a "Transfer" button allows to simply move spectral data from spectra or acquisition windows towards automated processing ("Automate") or to spectral database search windows ("Identify")
  • a "Drag & Copy& button activates the option to drag a single spectrum to another tab and create a copy of it there.


  • select from a range of UI types (dark themes available!)
  • switch between ribbon style/ menues
  • multiple plot windows
  • duplicate plot windows
  • recent files & recent folders window
  • fast scaling, zooming, scrolling, panning, rescaling with mouse
  • lock axis range to custom values
  • Status bar at bottom displays current mouse position => fast reading of data points
  • X-axis: pixels, wavelength (nm or µm), wavenumbers, Raman shift, electron volts (eV or keV) and frequency (THz)
  • Y-axis: transmittance & reflectance (as 0 - 1 or 0 - 100% scale), absorbance, rel. intensity, counts, counts/sec, a.u., log(1/R), Kubelka-Munk units, irradiance, molar absorption coefficient, log(absorption coefficient), log(intensity)
  • Automated choice of axis types from spectral data files while opening
  • Set default axis types for spectrum files with unknown axis assignment
  • Change axis titles, axis labels & peak labels caption, font, font size
  • Grid mode (off, narrow dotted lines, wider solid lines)
  • Spectra display with arbitrary colour, line type, line width, legend texts
  • direct access of spectrum properties in Plot ribbon
  • selection of color palettes for spectra. define custom palettes.
  • flip x axis
  • temporary hiding of spectra selection
  • remove hidden spectra
  • direct removal of spectra with CTRL + mouseclick
  • automated spectra stacking
  • "Scale & Shift" for manually stacking/ offsetting individual spectra
  • waterfall display
  • "Flipping through" quickly shows subsets of large spectra numbers
  • multi-cursor for vertical readout
  • Automated peak labeling, element peak labels for XRF, Gamma & LIBS data
  • Manual peak labeling
  • "Spectroscope View" simulating visual appearance through spectroscope, with automated alignment for both views
  • Colorize spectrum lines depending on defined spectrum parameter
  • Display of two-dimensional fluorescence spectra (EEM), logarithmic z values colour scale available
  • Drag&Drop of files for recognized file formats
  • Copy&Paste of arbitrary data gives instant plot
  • Open unknown binary files
  • Undo/ Redo function for each plot, to revert multiple processing steps
  • change settings and save to registry for >100 options
  • show used license key in File => About section
Call Spectragryph from the command line to open spectra into a common spectra tab of a single instance. Control this behaviour with /multipleinstances and /newtab switches. Optionally set spectrum colour with color=xx. Load multiple files at once with an aggregated string: c:\programfolder\spectragryph.exe c:\myfilepath01\myfile01.sgd color=01; c:\myfilepath02\myfile02.sgd color=03; c:\myfilepath03\myfile03.sgd color=04; (also: using color HEX code is poosible, like color=#e5f5f9 or color=#FFEF32)
Fluorescence/ EEM
  • baseline correction
  • advanced baseline correction
  • spike removal
  • remove a single peak by interpolation
  • normalize by peak
  • normalize by area
  • normalize by value
  • smoothing
  • advanced smoothing (four smoothing algorithms)
  • standard normal variate correction
  • multiplicative scatter correction
  • detrending of global slope
  • apply x offset/ stretch
  • apply y offset/ stretch
  • cut off a spectrum part
  • change legend texts
  • sorting spectra up/ down
  • sorting spectra manually
  • reverse spectra list
  • remove last spectrum
  • remove spectra selection
  • remove all spectra
  • add spectra
  • subtract spectra
  • multiply spectra
  • divide spectra
  • scaled subtraction
  • average spectra (mean + median, grouping options)
  • merge spectra (automated grouping options)
  • calculate 1st - 4th derivative
  • calculate transmittance from intensity spectra
  • calculate reflectance from intensity spectra
  • calculate absorbance from intensity spectra
  • create & apply x axis calibration to all spectra (2nd, 3rd or 4th order polynomial available)
  • calculate Raman shift spectrum from wavelength spectrum + laser wavelength
  • Optional use of normalized Jacobian transformation
  • Kubelka-Munk transformation for reflectance spectra
  • Log(1/R) transformation for reflectance spectra
  • Interpolate, resample changes spectrum axis types, boundaries and x axis step width
  • load image file for spectrum creation from image cross-section


  • create peak list with FWHM values & element assignments for LIBS, XRF & Gamma data
  • create peak list for all loaded spectra
  • integration (interactive for a spectra series)
  • integration with individual baseline (interactive for a spectra series)
  • calculate concentration from spectrum
  • calculate concentration from weighing
  • calculate center of gravity (interactive for a spectra series)
  • film thickness determination (from white light interference spectrum)
  • "Extract data" tool: interactively extract up to 24 parameters from a series of spectra
  • "Create Output Value": calculate parameter value from spectrum, send to output device (like DAC converter)
  • multi-library search and search results display for multiple spectra
  • "Analyze Mixture": quantitative analysis of a mixture of known components by multilinear regression
  • "Gaussian Deconvolution": create spectrum approximation from Gaussian peaks
  • emission sensitivity correction
  • assign excitation wavelength to fluorescence specra
  • excitation intensity correction
  • remove Rayleigh/ Raman scatter peaks from fluorescence spectra
  • subtract Blank EEM data set
  • calculate excitation spectra
  • show excitation emission matrix as 2D plot (contour plot, colour grid)
  • show excitation emission matrix as D plot (surface plot, iso-surface)
  • EEM display window type, with interactive 3D rotation, colouring options, display of contour lines
  • simultaneous live display of excitation + emission cross section for EEM view
  • display intensities in logarithmic scale
Evaluate/ Report
  • create Identify tabs
  • built spectral reference libraries from all file formats
  • load OMNIC spectral database files
  • load GRAMS Spectral ID database files
  • once-click conversion from OMNIC + GRAMS libraries
  • create & assign descriptor categories
  • add meta data, molecular structures
  • define search algorithms from a set of search types and a multitude of options
  • combine search definitions and weight their result impact
  • load & save database files, search definitions
  • search & display reference entries
  • load sample files, assign search types
  • execute simultaneous database searches for multiple sample types
  • show an ordered results hit list, number of shown hits configurable
  • display spectra plot with sample and reference hits (with normalization option)
  • save and load search results
  • export search result/ hit list to Excel files
  • create automated PDF search reports
  • customize PDF search report header with personal/ company information

unlimited databases only available with the Spectragryph-id software version!

Download free spectral libraries from here!

  • create Acquire tabs
  • select device type:
    • Andor cams
    • ASEQ devices
    • Avantes devices
    • Arcoptix FTIR devices
    • Broadcom/ rgb photonics devices
    • OceanOptics devices
    • Stellarnet devices
    • IBSEN Photonics devices
    • TSI/ Chemlogix Raman spectrometers
    • Wasatch Photonics devices
    • USB webcams (DirectShow interface)
    • B&W Tek BTC-110S (inquire...)
  • select device, if multiple devices present
  • connect to device
  • control Raman laser for Wasatch spectrometers
  • multi-channel acquisition (tested with Avantes, OO, Stellarnet)
  • live merging for multi-channel spectra
  • live saving of acquired spectra while acquiring
  • custom naming of legend texts
  • get, set and save device setting parameters
  • load device settings automatedly on connect
  • auto-connect to device on sw startup
  • set exposure time
  • acquire live spectra in 5 modes:
    single shot | continuous | additive | burst | loop
  • set spectra number for burst mode
  • set cycle time for loop mode
  • set measurement mode:
    intensity, counts | transmittance | reflectance | absorbance | irradiance
  • set & use dark & Blank spectrum
  • set reference spectrum
  • set number of averaging spectra
  • execute x axis calibration
  • use & combine eight live post-processing modes, including live spectra library search and display of results
  • pre-set state of post-processing options in settings
  • set parameters for post-processing modes
  • call spectrum acquisition for connected spectrometer from command line with /acquire switch. Syntax: C:\myprogramfilepath\Spectragryph.exe /acquire C:\myspectrumfilepath\myspectrum.sgd

    unlimited acquisition only available with the
    software version

TBD in a future version

  • create Automate tabs
  • built processing sequence from 40+ processing options
  • set parameters for each processing step
  • load processing sequence
  • save processing sequence
  • clear processing sequence
  • execute processing sequence (optionally, split into file batches for large data sets)
  • interrupt processing sequence
  • run processing as hidden or with live view
  • show processing protocoll

  • call sequences from command line with /automationtab switch. Syntax: C:\myprogramfilepath\Spectragryph.exe /automationtab C:\myspectrumfilepath\myspectrum.sp C:\mysequencefilepath\mysequence.sgps


© 2001-2023: Friedrich Menges. Last Change: 23 June, 2022
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