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— chemdata:interpreter [2019/02/26 11:39] (current)
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 +===== Mass Spectrum Interpreter Ver. 3.4 =====
 +
 +==== Introduction ====
 +
 +<color red>Major New Release – February 2019 (v. 3.4).</color> Major enhancement of mechanisms and their rates for all fragmentation types (EI, Tandem positive and negative mode), with new display features, isotope calculator and updated on-line help. This program connects mass spectral peaks to their probable chemical structure origin and can be quickly invoked from the NISTMS program with the F9 key.
 +
 +
 +Version 3.4 replaces all earlier versions under 32-bit and 64-bit Windows.
 +
 +MS Interpreter was described in a poster in the meeting of the
 +International Mass Spectrometry Society, Edinburgh, UK, 2003,
 +"An Automated Method for Verifying Structure-Spectral Consistency
 +Based on Ion Thermochemistry"
 +
 +A presentation (PDF) from ASMS 2018 is also available for {{:chemdata:nist17:asms_2018_nist_msinterpreter.pdf|download}}
 +
 +No documentation is available except built-in help system.
 +Select Help/What's New from MS Interpreter menu to get a list
 +of newly added features, or open file MSPCALC.chm 
 +
 +==== Installation ====
 +
 +=== How to replace an earlier version of the MS Interpreter ===
 +The following instructions assume that you have a earlier version
 +of MS Interpreter installed on your PC.
 +
 +  - Make sure the MS Search and MS Interpreter are not running. Open Task Manager and look for mspcalc.exe under Processes. If you find “Mspcalc.exe” or “Mspcalc.exe *32”, right-click it and select “End Process” or, if this does not work, select “End Process Tree”.
 +  - Extract file MSINTUNR.BAT from this package to the directory where the MS Interpreter executable (MSPCALC.EXE) is located. 
 +  - Run MSINTUNR.BAT as Administrator. This will unregister the old MS Interpreter; this process lasts 1-3 sec.; no new application window will be open.
 +  - Find current Mspcalc.exe on your computer.
 +  - Create there a new folder //OldVer// for backup.
 +  - Move old files (qual.dll, mspcalc.ini, mspcalc.exe, mspcalc.chm, frag32.dll, ms_interpreter_isotope_table_default.itbl) to //OldVer// folder.
 +  - Unzip new files in the folder.
 +  - Run MSINTREG.BAT as Administrator. This will register the new MS Interpreter; this process lasts 1-3 sec.; no new application window will be open. Or you can run newly extracted file MSPCALC.EXE as Administrator and select from its menu Options/OLE Registration/RegServer.
 +
 +=== How to install MS Interpreter ver. 3.4 ===
 +
 +The following instructions assume that you do not have a earlier version
 +of MS Interpreter installed on your PC.
 +
 +  - Extract files from this package to a directory on your computer.
 +  - Run MSINTREG.BAT as Administrator. This will register the new MS Interpreter. This process lasts 1-3 sec., no new application window will be open. Or you can run newly extracted file MSPCALC.EXE as Administrator; select from its menu Options/OLE Registration/RegServer.
 +  - Optionally create a shortcut to MSPACALC.EXE and name it "MS Interpreter".
 +
 +=== How to verify that MS Interpreter is properly installed ===
 +
 +  - Run NIST MS Search (your current version).
 +  - Open a mass spectrum in any of the MS Search windows
 +  - Right-click the window and select "Send To", "MS Interpreter"    from the floating menu.
 +
 +The MS Interpreter window should pop up and display the selected
 +spectrum and (if present) the chemical structure. The Help/About
 +box should display "MS Interpreter Version 3.4" or later.
 +
 +Link to download MS Interpreter is below. There is "Read Me" file inside the archive with installation instruction.
 +
 +<WRAP center 70%>
 +|  {{:chemdata:nist17:mspcalc2019.zip|Download Mass Spectrum Interpreter Ver.3.4}}  |  
 +</WRAP>
 +
 +
  
chemdata/interpreter.txt · Last modified: 2019/02/26 11:39 (external edit)

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