Menu

Why use it

clochardM33

Why would I use this (it)?
Have you ever wanted to "just put that spectrum into NIST" or "just make this spectrum part of my library" ?
If you haven't then it is unlikely that any of the stuff here will make any sense, so tune out now.
On the other hand side if these are questions like ones you have been having then this stuff might just be what you are looking for.

If you want to answer the first question above then no matter which way you cut it you have to turn your peak list(s) into an MSP file. That is what this app does; it takes a simple list, takes only the numbers out of it and wraps them up into one of them files.
Stop now if this already makes no sense.
Important - If your data is more complex, such as the results of a search with multiple columns then there are other, and probably better, ways of treating them. See this companion app https://sourceforge.net/projects/msp-builder-2/

Here is the scenario:

  • Look at a spectrum
  • Copy the peak list out of it
  • Paste into Peak List 2 MSP (this app!)
  • Copy out your input which has now been transformed into an MSP file
  • Paste this into NIST, or a file, or a notepad. This bit is up to you.

To do this you need your favourite mass spectral viewer, NIST, this app and your favourite notepad app.
Of course you can probably do this directly from the viewer.
But what if you want to make a composite from more than one list? With this app just paste them all in. Now you are free to make any combination you want.
This means you can explore what happens if you add A + B + C.
At this point only you will know why you are doing it.

And if you can get your peak lists into ascii (text) files then you can call this app from the command line (or some equivilent that can start Windows applications and pass arguments to it) and make all sorts of files.
And for the real technophiles then you can call the functions through the .NET API.
The fun really does start there.

Happy MSPing!


Related

Wiki: Home