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
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Data
& Plot export
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Plot/
View
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- 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)
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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.
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- 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
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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)
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Process
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Transform
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Analyze
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Fluorescence/
EEM
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- 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
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- 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
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- 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
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- 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
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Identify
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Acquire
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Evaluate/
Report
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Automate
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- 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!
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TBD
in a future version
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- 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
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