How to use this software

Data Preparation

1. Obtain NIST-formatted data files.
   1. Prepare the standard NIST library or download free libraries. Followings are some free examples.
      • CSB-DB by MPI-Golm
        http://csbdb.mpimp-golm.mpg.de/csbdb/gmd/msri/gmd_msri.html
   2. Link data files by clicking the "Library" tab and choosing your downloaded files in the main window.
      • Library information is stored in a local file in the local "Library" directory. This directory will be automatically created.  You do not need to specify libraries from the next time.
      • A single library can contain multiple data files.
      • The maximum number of libraries is 20.
   
   
2. Obtain your query data.
1. Prepare the query data in the NIST format.
2. Load the query from the `File' menu in the menu bar.
3. Query information is stored in a local file named "ns.init". This file also contains information on the window sizes so that you can start from the condition you exited.
4. Click a line in the query data and a list of candidates appears in the bottom window.

Peak Analysis

1. Zooming in / out of spectral peaks
   • Mouse-drag the region to zoom-in.
   • Single click to zoom-out to the entire region.
   • Choose "m/z value" tab to see top 10 peaks.
   • Mouse right-click to find mass information in the "Fragment" panel.

arita@k.u-tokyo.ac.jp