This version of the viewer has the capability to directly download and process raw FID data files from the UWSP data server. Some very brief documentation on the data processing capabilities is available here.
JCAMP-DX spectral files are best displayed using the JCAMP viewer as the Chime plugin(Windows only) seems unable to display spectra with a large number of data points in an AFFN JCAMP data file.
All jcamp files on this site can be viewed as well as those on the NIST web site. In general, all compounds on this site will have infrared, 1H, 13C, and mass spectra. The viewer reads and saves in AFFN format only. It can read compressed JCAMP formats, but writes only AFFN format. See the official JCAMP specification site for details.
General Viewer Features:
All spectra can be expanded in both X and Y coordinates via commands or buttons on the screen. Click and drag will outline a region which can be expanded or displayed via an inset window. Expansion will automatically rescale the Y dimension to bring the largest peak to full scale. Annotations (simple text labels) can be added via the annotation button (toggles on and off). These annotations will be saved if the file is saved via file:save. Right click on a peak will bring up a contextual menu. One of the options is 'Mark peak' which will produce a label showing the X coordinate of the peak. Labeled peaks will also be saved if file:save is executed. Automatic peak picking results in identification of all all peaks above the threshold which can be adjusted via on screen controls. A peak table can also be displayed.
In general, anything displayed on screen can be printed or copied to the clipboard. If Quicktime is installed, the screen display can be saved in jpeg format suitable for direct display on web pages. All jpeg files on our web site were created using this feature of the viewer. Other picture formats may be available as well depending on your system configuration.
Infrared spectra in the database were recorded and converted using a Nicolet FT-IR spectrometer. The default display format is % transmittance versus wavenumber (cm-1), but absorbance is also available. This default can be changed via the preferences dialog and may be overridden by preferences within the JCAMP file itself.
Mass spectra in the database were recorded on a Hewlett-Packard GC/MS and converted to peak table format using software delveloped locally. Normal expansion and labeling is available.
1H nmr spectra:
Proton nmr spectra can be displayed in both Hz or ppm assuming the spectrometer observe frequency is available in the file header. The default can be changed via the preferences dialog. In addition, automatic integration can be performed. Raw FID data is available for some compunds in both JCAMP ntuples and MacNMR format. The viewer can read and display the real or imaginary portion of the JCAMP FID.
13C nmr spectra:
Carbon nmr spectra can be displayed in both Hz and ppm assuming the spectrometer observe frequency is available in the file header. The default can be changed via the preferences dialog. Raw FID data is available for some compunds in both JCAMP ntuples and MacNMR format. The viewer can read and display the real or imaginary portion of the JCAMP FID.
7-20-2016 Fixed the wandering normalization peak problem and modified the read routine so it would properly read and display saved integrations. Now at version 2.7.0. 7-18-2016 Changed version number to 2.6.9 and recompiled to include most recent improvements for world wide access. 7-15-2016 Removed 200 MHz nmr log menu item. Removed auto-integrate button and modified integrate button code so that an auto-integration is performed on the first click. The integral used for normalization is now marked with an N. The auto reset of amplitude when integration is turned on was fixed. 6-21-2016 Added an automactic reference setting routine to the process window (assume TMS at zero - auto_set_TMS_ref method) that is run before each peak pick. It assumes that TMS located somewhere between 0.1 and -0.1 ppm and then searches for the maximum peak in this range after which it sets this peak to zero. 6-20-2016 Modified all URL request code so both http and https requests are supported. 6-16-2016 An algorithm was added to the carbon-13 peak pick to differentiate CDCl3 solvent peaks. The peaks list window now generates a comma separated string that conforms somewhat to standard ACS journal format. More deuterated solvents will be added as time allows. Changed integration display so traces would be plotted above peaks and below peak picks. 6-10-2016 Improved peak and integration discrimination algorithms for proton nmr so the auto integration routine works better. Peaks outside integration regions are marked with the grid color to differentiate them from peaks inside integrals. These peaks are omitted from the peak list window. The peaks list window now generates a comma separated string that conforms somewhat to standard ACS journal format. The S/N is used to select the peak picking threshhold. Fixed spectrum offset calculation in the auto process button code. 6-4-2016 Copy marked peaks table with spectrum copy implemented. Overlay in process Window expansion,contraction and inset plotting fixed. Adjusted mark peaks to select all peaks within 3% of max in range. 3-2-2016 Added spectrum reversal button to the process window. 2-17-2016 Fixed peak label printing to laser printers so the whole label prints properly. Made the vgrid and xgrid default color a bit darker so it shows up better when printed. 01-13-2016 Extracted $$ D1 from Bruker header which the relaxation delay. Important for proton and carbon spectra where T1 is relatively large for some spins. Increase to 5 x largest T1 if peak is barely visible in carbon or accurate proton integration is required. 12-20-2015 Fixed grid line drawing for process and spectradisplay windows. Added pref items to turn x and y grids off/on independently and allow color selection. Grids are now on by default. Added pref item to control fontsize for integral text. Fixed convert to Hz on save then convert back to PPM so proton integrals are properly retained. The mark peak and mark peaks ContextualMenu items have been restructured and cleaned up to work with nmr and ir spectra. 10-2-2015 Fixed horizontal grid to be fixed at 10 divisions with no labels. 9-12-2015 Added horizontal grid as default when grid is turned on. Will be default at first use. Fixed J value button so it is enabled more appropriately. Added a Mark Peaks ContextualMenu that will try to mark all peaks in the selected range based on the current threshold setting. It seems to work fairly well for nmr data. Somewhat less effective for IR and MS. 1-7-2015 Fixed window size for 1280x960 pixels. Added ability to change overlay x, y, intensity and color from the overlay table. 10-5-2014 Fixed problems with improper suffix/extention on windows platforms. 8-15-2014 Added the ability to change some font sizes. 6-30-2014 Fixed x,y export in process window when only real values are available. 6-7-2014 The readfile routine was modified to read picospin jcamp files (missing ##END= line). 5-6-2014 The sort bug in the j vlaue calc routine was fixed. A delete button was added to makeinset window so it would be more obvious how to delete an inset. 4-19-2014 Found some serious errors in JDXDecompressor. The DIF/DUP method was failing to change the lineindex properly and the dup count routine was increasing the dup count one more than requested. There are still some calculation errors in the coupling constant calculation routine. It might be nice to try some multiplet analysis. 3-30-2014 Fixed dataaccess and specdata floating window visibility bugs during deactivate/activate. 2-24-2014 Fixed integration error when there were zero integrals in intregral_calc_ranges. Fixed autoplot on first open in spectradisplay. 1-11-2014 Added mouse wheel preference selection. Default is mouse wheel support off. Fixed annotate function in process and spectradisplay. 12-13-2013 Added d key detect in Search_jdxlist so we don't have to mouse over to the download button. Fixed spectrum replot on window resize. Fixed show integrations and marked peaks in file saved by viewer. Fixed process file save so peaks, coupling constants and integrations would be written and read properly. 9-7-2013 Fixed bug in spectradisplay that caused contract button to be displayed, but disabled. Version 2.5.0 9-2-2013 Modiefied setref window so chemical shift EditFields can be stretched to show more figures. Modified peakmark routine so that peaklist Window appears to the right side of the spectrum window. Annotate still does not function properly. Another day on that one. Increased to version 2.4.9. 8-31-2013 Changed the default widths of the columns in overlay listbox and turned on column resize for the overlay listbox. 8-25-2013 added trace feature to process and makinset windows which can be activated from the prefs windows. Edit sectradisplay to support new makinset capabilities. 8-24-2013 Added utilities module - convert boolean to string. Changed process.save to save in hz mode using hz/point and ouput ##.SHIFT REFERENCE=. Also modified readprocess to give ##.SHIFT REFERENCE= preference in ppm reference of nmr spectra. Numerous corrections to makinset and process windows to support mouse enabled x and y expansion. Edit insets works correctly for nmr. 7-29-2013 Added proper conversion of offset in Bruker FID jcamp files. 7-25-2013 Converted java code from JSPECVIEW sourceforge project to decompress JCAMP data files in fixed, packed, squeezed, and dif/dup format as produced by Bruker Topspin 3.0. It is implemented for the process (nmr) windows only.