Thursday, June 12, 2008

What's Old

If you are still waiting for reviews of programs, you are in good company. I have realized that it's arduous, particularly when nobody gives you a program. If you want to write the reviews, I can share with you the authorship of the blog. From tomorrow I return blogging regularly (daily?) with a new series of articles dedicated to the old and established computing methods used in high resolution NMR of liquids. There will be very little of mathematical nature (but if you understand, for example, why we can't divide by zero, that would be beneficial).
I will express my personal inclinations, and share what I have learned through experience. To really understand why, sometimes, a method yields poor results, you need to recompile the code of the program with statements like:
printf ("coeff. no. %d = %5.5f\n", i, coeff[i]);
If you haven't access to the code, you can still learn a lot of things by simply looking at the plot on the monitor. In some cases it can be necessary to create artificial spectra with perfect signals and no noise (or artificial noise). Other times you start from an experimental spectrum and alter it (deleting a portion, for example) to create a test. There are general purpose NMR programs that allow for this sort of manipulations. If you can't do any of the above things, then read my blog! If you want to become an expert, practice and observation are however necessary.
A tentative index for my "lessons" can be:
  • Fourier Transform
  • Zero-Filling
  • Weighting
  • Line-Fitting
  • Symmetrization
  • Simulation of complex spectra
  • Spectra subject to Chemical Exchange
  • First Order Analysis
  • Digital Suppression
  • Hilbert Transform
  • Integration
  • Baseline Correction
  • Phase Correction
  • Noise Removal
  • Drawing Routines

I will not follow any particular order. I will NOT suggest any particular software. You can ask questions.


At 10:09 AM, Anonymous Anonymous said...

Though I am a windows user, I keep reading Old Swan's blog.

Applauses to Old Swan, for his coming article about NMR data processing.


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