Appendix 1: How to peak pick a spectrum in NMRVIEW
- Start nmrview. When nmrview comes up, go into "DATASET" in the top
panel, and "Open Datasets". Open all datasets that you want to peak
pick.
- Then, go into "WINDOWS" in the top panel, and choose the
"ADD" option. Add a window with 1 row and as many columns of 3D
datasets as you wish to view together. For the 2D HSQC, bring up a
separate window. To put spectra into the windows, click on the window
(section) of choice, with the right mouse button and a menu comes up.
Click on "Attributes" then on "File", "Dataset" and choose the dataset
you wish to view in that window or section of window. Using the up
and down arrows, move through the spectrum making sure you are
happy with the scale (LVL), and adjust accordingly. Also be sure to go
into the colors menu to choose colors for positive and negative
frequencies.
- To peak pick, click on the spectrum again, go to "Peak",
then "pick". In this window, put a name in it, such as hncacb or hsqc
etc., and pick using "window", "new", and thickness to a large number
such as 200 or 500. Click on "pick".
- After the spectra have been
picked, go under "Analysis" (main menu), bring up "Peaks", then
under list, pick your list name. On the spectrum, click with the left
button again, select "peak" from the menu, and select "Peak
Attributes". Set the peak list to your list, then set plane off to how
many planes you want to show cross-talk peaks. I usually set this
number to 1. Click on "Draw" and close.
- Carefully go through the
spectra and either add to or delete from the peak list. To do this, click
on the spectrum with the left mouse button. Click on "Cursor", then
bring up that menu. Click on add or delete or modify and modify peaks
as required. When you are finished, go back to the "peak analysis"
window and save your peak list as a "aaa.xpk" file, where aaa is
anything.
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