Sciformation ELN kann für folgende Dateiformate Vorschaugrafiken erzeugen und ggf. Daten wie Peaklisten extrahieren (ohne Gewähr):
Dateiformat | Beispiel | Schnellauswertung der Daten |
Allgemein | ||
![]() | Volltext | |
MS-Office, OpenOffice | ![]() | Volltext |
Grafiken (GIF, JPG, PNG, TIFF, BMP, PCX, TGA, etc.) | ![]() | - |
Vektorformate (EMF, SVG, WMF) | ![]() | - |
JCAMP-Dateien (unter Verwendung dieser Bibliothek, auch 2D-NMR) | ![]() | Peakliste |
DICOM-Dokumente (medizinisch) | ![]() | - |
MP4-Videos (abhängig vom verwendeten Codec) | ![]() | Standbilder und Videoplayer |
HDF5 | ![]() ![]() | nur interaktiver Viewer |
Strukturen (über JMol) | ||
Röntgenstrukturen (CIF, RES,...) | ![]() | Interaktiver 3D-Betrachter |
Quantenchemie (Gaussian, Molden, Molpro, Mopac, XYZ, ZMatrix, Crystal,...) | ![]() | Interaktiver 3D-Betrachter |
![]() | ||
Moleküldynamik (Gromacs,...) | ![]() | Interaktiver 3D-Betrachter |
Biochemie/Bioinformatik (CML, PDB,...) | ![]() | Interaktiver 3D-Betrachter |
Chromatographie | ||
Agilent (HTML) | ![]() | Peakliste |
AIA/netCDF (unter Verwendung dieser Bibliothek, auch GC-MS) | Peakliste, ggf. mit Massen | |
Metrohm MagIC Net (Ionenchromatographie) | ![]() | Peakliste |
Perkin-Elmer GC (experimentell) | ![]() | Peakliste |
Shimadzu HPLC (experimentell, LCD-Format nicht unterstützt) | ![]() | |
Dateiformat | Beispiel | Schnellauswertung der Daten |
GC-MS/LC-MS | ||
Agilent Chemstation | ![]() | Peakliste mit Massen |
mzML | Peakliste mit Massen | |
Varian SMS | ![]() ![]() | Peakliste mit Massen |
IR/Raman | ||
Galactic SPC | ![]() | Peakliste |
Perkin-Elmer SP | ![]() | Peakliste |
Nicolet SPA | ![]() | Peakliste |
Rigaku XML | ![]() | Peakliste |
Sadtler IRF | ![]() | Peakliste |
Bruker Opus | ||
Yokogawa WDF | ![]() | Peakliste |
NMR | ||
Bruker 1D | ![]() | Peakliste |
Bruker 2D | ![]() | Peakliste |
Agilent (früher Varian, in Anlehnung an diese Bibliothek) | ![]() | Peakliste |
JEOL (in Anlehnung an diese Bibliothek, 2D-NMR experimentell) | ![]() Beispieldatei von S. B. Kim et al., https://doi.org/10.7910/DVN/ZAZDNM, CC0 | Peakliste |
Massenspektren | ||
NIST MSP | ![]() | Peakliste |
Waters MGF | ![]() | Peakliste |
Waters PUF | ||
EPR/ESR | ||
Bruker BES3T (DTA+DSC) | ![]() Beispieldatei von D. Huber et al., CC-BY 4.0 | Graph, Parameter |
Pulverdiffraktogramme | ||
Bruker, Stoe | ![]() | Peakliste |
Panalytical XRDML | ![]() | Peakliste |
Röntgenfluoreszenzspektroskopie | ||
Aspex TIFF | ![]() | Mikroskopaufnahme, Graph, Elementliste, ggf. Quantifizierung |
EMSA | ![]() | Graph, Elementliste, ggf. Quantifizierung |
Bruker SPX | ![]() | Graph, Elementliste, ggf. Quantifizierung |
Alle Angaben ohne Gewähr. Alle Firmennamen und Produktbezeichnungen sind Warenzeichen der jew. Eigentümer.
Sciformation ELN can generate preview images and – in some cases – extract data like peak lists for the following file formats (noncommital, subject to change):
File format | Example | Quick data analysis |
General | ||
![]() | full text | |
MS-Office, OpenOffice | ![]() | full text |
Images (GIF, JPG, PNG, TIFF, BMP, PCX, TGA, etc.) | ![]() | - |
Vector formats (EMF, SVG, WMF) | ![]() | - |
JCAMP files (using this library, also 2D-NMR) | ![]() | peak list |
DICOM documents (medicinal) | ![]() | - |
MP4-Videos (depending on codec) | ![]() | still images and video player |
HDF5 | ![]() ![]() | Interactive viewer only |
Structure files (via JMol) | ||
X-ray structures (CIF, RES,...) | ![]() | interactive 3D viewer |
Quantum chemistry (Gaussian, Molden, Molpro, Mopac, XYZ, ZMatrix, Crystal,...) | ![]() | interactive 3D viewer |
![]() | ||
Molecular dynamics (Gromacs,...) | ![]() | interactive 3D viewer |
Biochemistry/bioinformatics (CML, PDB,...) | ![]() | interactive 3D viewer |
Chromatography | ||
Agilent (HTML) | ![]() | peak list |
AIA/netCDF (using this library, also GC-MS) | peak list, with mass spectra if available | |
Metrohm MagIC Net (ion chromatography) | ![]() | peak list |
Perkin-Elmer GC (experimental) | ![]() | peak list |
Shimadzu HPLC (experimental, LCD format not supported) | ![]() | |
File format | Example | Quick data analysis |
GC-MS/LC-MS | ||
Agilent Chemstation | ![]() | peak list with mass spectra |
mzML | peak list with mass spectra | |
Varian SMS | ![]() ![]() | peak list with mass spectra |
IR/Raman | ||
Galactic SPC | ![]() | peak list |
Perkin-Elmer SP | ![]() | peak list |
Nicolet SPA | ![]() | peak list |
Rigaku XML | ![]() | peak list |
Sadtler IRF | ![]() | peak list |
Bruker Opus | ||
Yokogawa WDF | ![]() | peak list |
NMR | ||
Bruker 1D | ![]() | peak list |
Bruker 2D | ![]() | peak list |
Agilent (formerly Varian, developed based on this library) | ![]() | peak list |
JEOL (developed based on this library, 2D NMR experimental) | ![]() Sample file by S. B. Kim et al., https://doi.org/10.7910/DVN/ZAZDNM, CC0 | peak list |
Mass spectra | ||
NIST MSP | ![]() | peak list |
Waters MGF | ![]() | peak list |
Waters PUF | ||
EPR/ESR | ||
Bruker BES3T (DTA+DSC) | ![]() Sample file by D. Huber et al., CC-BY 4.0 | graph, parameters |
X-ray powder diffractograms | ||
Bruker, Stoe | ![]() | peak list |
Panalytical XRDML | ![]() | peak list |
X-ray fluorescence spectroscopy | ||
Aspex TIFF | ![]() | microscope image, graph, element list, quantification if possible |
EMSA | ![]() | graph, element list, quantification if possible |
Bruker SPX | ![]() | graph, element list, quantification if possible |
No liability can be taken for the completeness and correctness of the information provided. All company and product names are trademarks of their respective owners.