MicroLabExpert - Second derivative spectrum


Im a third year bachelor student in conservation sciences, currently doing research regarding the identification of tortoiseshell, using ATR-FTIR analysis with the Agilent 4300 handheld FTIR spectrometer.

Tortoiseshell is made up of keratine, which is a type of protein. This means that regarding the infrared spectrum, the spectral range of the secondary protein structure Amide I group (1580-1750 cm-1) is of particular interest for my research.

In my literary research i have found that within this particular spectral range, hidden and overlapping peaks can be present, making the interpretation of the spectrum quite difficult.

There is a solution for this problem: a second derivative of the original spectrum might separate and quantify hidden peaks within the Amide I region.

Which brings me to my question:

- How do you apply a second derivative to the original spectrum? Is there a function within MicroLabExpert that can do this?

- If there is no second derivative function within the MicroLab software, do i need additional software to apply a second derivative to the original spectrum? If yes, which software can i use for this?

Parents Reply
  • Hi Alex ..

    There is no such feature in MicroLab PC software, You can use MicroLab Expert if you have it.. 

    Attaching MicroLab Expert Software Manual for your reference. Also, For calculation of  Derivatives you will need to use MicroLab Expert Base that will offer that function/operation in ML Expert > Mathematics > Derivative Calculation using the Savitzky-Golay /Gap Derivative / Differential Quotient algorithm.

    click on "Calculate" to perform calculation.

    Hope This Helps!!..


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