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.