Dataset and Data analysis "Multimodal vibrational studies of drug uptake in vitro: Is the whole greater than the sum of their parts?"
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Data Analysis for the publication 10.1002/jbio.202000264. It is divided in three different folders describing three different part of the data analysis: <strong>A. DATA TREATMENT RAMAN (Folder 1)</strong> <em>1. Import data using the Import_Raman script.<br> 2. Plot Spectra and integrate DOX band<br> Figure 1A<br> Figure 1B<br> 3. PCA<br> Figure 1D<br> Figure 1C<br> SM 1<br> 4. PLS<br> Figure 1F<br> Figure 1E</em> <strong>B. ANALYSIS OF IR DATA AND MULTIMODAL IR-RAMAN OF DOX UPTAKE (Folder 2)</strong> <em>1 Load Data IR<br> 2 Exploratory Analysis IR<br> Figure 2A<br> 3 PCA <br> SM 2<br> 4. Partial Least Squares vs time<br> Figure 2C<br> Figure 2B<br> 5. Partial Least Squares vs Raman Signal<br> Figure 2E<br> Figure 2D<br> 6. Make Averages and clean up Data for DATA Fusion<br> IR<br> Raman<br> 7. 2DCORR<br> Figure 3B<br> 8. MCR_ALS WITH DATA FUSION<br> Fitting of the concentration of Raman using the method in [9].<br> MCR-ALS<br> Figures 4 A, B and C</em> <strong>C. SIMULATION (Folder 3)</strong> <em>1. Load Raman DATA<br> 2. Simulate Raman DAta<br> 3. Load and simulate IR Data<br> 4. 2D corr<br> Figure 3A</em> . Each folder contains a .mlx with the data analysis performed. Figures numbering corresponds to the one found in the article.
