BCMB/CHEM 8190 Lab Exercise
Using Maple for NMR Data Processing and Pulse Sequence Design
March 2010
Introduction
Maple is a powerful collection of routines to aid in the solution of mathematical
problems and the analysis of data.
It is similar to MATLAB and Mathematica, some
other tools frequently used in the sciences.
Like these relatives, it is capable of doing
both symbolic manipulations (solving equations written in terms of variables like x, y,
and z) and numeric calculations.
It will often default to symbolic calculations, but
numeric evaluation can easily be added.
Maple 13, the current version distributed at
UGA, has a versatile interactive interface that allows you to write equations easily
(document mode).
Note that there are many modes for entry (Text, 2D Math, etc.)
By
default the program will come up in document mode with 2D Math entry.
You can type
from the keyboard as well as insert a variety of special characters by selecting them from
the pallet at the left.
Use of this interactive interface is well illustrated by the ten minute
tutorial found under the help menu.
This is an easy way to get familiar with some of the
capabilities and conventions. You can also use the search function in the Maple Help
window opened using the Help tab on to the right of the top menu bar. Type any function
name you might expect and activate search.
To see a list of functions type
‘index[function]’ in the window and activate search.
Maple also operates in a worksheet mode in which commands are easily grouped
in execution groups so that they can be easily repeated, strung together in more complex
sequences, and saved for future reference.
You can tell you are in this mode by the “>”
prompt at the beginning of a line.
We are going to work in this mode.
To get into this
mode select “New” and then “Worksheet Mode” from under the “File” menu in the upper
left corner.
We will go through some applications illustrating plotting of data and matrix
manipulations on the first day.
On the second day we will use Maple to do some algebra
using product operators (the operators we use to describe NMR pulse sequences and their
effect on spin systems).
Some Simple Maple Operations Using Matrices:
There are five basic rules to Maple V syntax according to one book: Maple V by
Example, Abell and Braselton, Academic Press, 1994.
1.
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 Fall '11
 Gelbaum
 Mole, Nuclear magnetic resonance, Covariance matrix

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