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####Methods
####File Conversion
Use the FileIO
class to import data into the MATLAB workspace. Initialize the FileIO
class with the following command:
obj = FileIO
```
Import files using the `import` method. For example, the following command will prompt you to select Agilent (.D) files to import into the MATLAB workspace:
````matlab
data = obj.import('FileType', '.D')
Append an existing data structure with additional files of any supported file type. Just include the name of your data structure when using the import
method.
data = obj.import('FileType', '.D', 'Data', data)
####Baseline Correction
Use the BaselineCorrection
class for baseline correction. Initialize the BaselineCorrection
class with the command:
obj = BaselineCorrection
Calculate baselines with the baseline
method. For example, determine the baseline for all ion chromatograms in your LC/MS dataset:
data = obj.baseline(data, 'Samples', 'all', 'Ions', 'all')
Refine the baseline calculation by adjusting the parameters Smoothness
and Asymmetry
. Typical values for Smoothness
range from 1E3 to 1E9, and Asymmetry
from 1E-1 to 1E-5.
data = obj.baseline(data, 'Samples', 'all', 'Ions', 'all', 'Smoothness', 10^7, 'Asymmetry', 10^-3)
####Peak Integration
Use the PeakProcessing
class for peak detection and peak area determination. Initialize the PeakProcessing
class with the following:
obj = PeakProcessing
Calculate peak area using the integrate
method. Use the following command to automatically detect and integrate the largest peak in each ion chromatogram from your LC/MS dataset:
data = obj.integrate(data)
Find and integrate peaks within a given time frame. For example, find the largest peak in each ion chromatogram with a retention time between 10-20 min:
data = obj.integrate(data, 'WindowCenter', 15.0, 'WindowSize', 10.0)