A correct entry should look like this:


Query by Peaklist (be sure to include the brackets)

Peaklist: [3.7462,3.0138,1.8943,1.7162,1.4509]

Number of Returned Compounds: 5

Database: X BMRB

Details: X Yes No





Or, if you are uploading a spectrum, don't forget to include the intensity threshold as a fraction of the maximum spectral intensity.


Upload Spectrum

Intensity Threshold: .10

Please choose a file: /your/file/here.txt



Tips and specifics:

Peaklists:

The peaklist input is in the form of a row vector, which is why the input must be in brackets. However, this allows you to perform operations like you would on a row vector.

[3.7462,3.0138,1.8943,1.7162,1.4509]-.05 is a valid entry which shifts all the chemical shifts down .05 ppm.

Uploading

When you upload your file, it should be a text file in the following format:

      10.70 -10000
      10.69 10000
      10.68 00000

Where column 1 is the domain in ppm and column 2 is the intensity. The delimiter (separator between columns) should be a single space. Do not include headers or footers.