process example: process_pipe_2d

This example shows how nmrglue can be used to process NMR data. In this script a 2D time domain NMRPipe file is processing into a 2D NMRPipe frequency domain file. After processing the resulting file is compared to one processed with NMRPipe.

[source code]

#! /usr/bin/env python

import nmrglue as ng

# read in the file
dic,data = ng.pipe.read("../common_data/2d_pipe/test.fid")

# process the direct dimension
dic,data = ng.pipe_proc.sp(dic,data,off=0.35,end=0.98,pow=1,c=1.0)
dic,data = ng.pipe_proc.zf(dic,data,auto=True)
dic,data = ng.pipe_proc.ft(dic,data,auto=True)
dic,data = ng.pipe_proc.ps(dic,data,p0=-29.0,p1=0.0)
dic,data = ng.pipe_proc.di(dic,data)

# process the indirect dimension
dic,data = ng.pipe_proc.tp(dic,data)
dic,data = ng.pipe_proc.sp(dic,data,off=0.35,end=0.9,pow=1,c=0.5)
dic,data = ng.pipe_proc.zf(dic,data,size=2048)
dic,data = ng.pipe_proc.ft(dic,data,auto=True)
dic,data = ng.pipe_proc.ps(dic,data,p0=0.0,p1=0.0)
dic,data = ng.pipe_proc.di(dic,data)
dic,data = ng.pipe_proc.tp(dic,data)

# write out processed data
ng.pipe.write("2d_pipe.ft2",dic,data,overwrite=True)

# check against a file processed with NMRPipe
dic1,data1 = ng.pipe.read("../common_data/2d_pipe/test.ft2")
dic2,data2 = ng.pipe.read("2d_pipe.ft2")
print ng.misc.pair_similar(dic1,data1,dic2,data2,verb=True)