pklist: manipulate the dimensions of a peak list

Usage:

pklist [ options ] file.lst

Options:

-x num1[,num2,...] extract the specified dimension(s)

-c num1[,num2,...] clone the specified dimension(s)

-F fix lines that are missing the "?" in place of blank labels

-f num or -f dim1=num1[,dim2=num2...] num* are the factor(s) by which the peak widths and bounds are multiplied. This is used in conjunction with the -c option and only the cloned version (not the original) is multiplied by the specified factor.

Description:

pklist performs operations on a peak list, with the new list being written to standard output. With B, it is possible to fix unlabeled peaks that are missing the "?" in the list. One can also extract or clone one or more dimensions from the list while optionally adjusting the widths and bounds of the peaks by a user specified factor.

Examples:

pklist -F 4dccnoe.lst will fix peaks that are missing the "?" for unlabeled peaks.

pklist -x 1,2 hnca.lst | pklist -c 1 -f 2.0 > nnoe.lst will take the first two dimensions (¹H and ¹⁵N) of an hnca peak list. The ¹H dimension is then cloned and the peak size doubled, with the output going to nnoe.lst