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As a proof of concept we have used a simple fitting procedure as it is least squares, although other more complex fitting procedures may be easily included.
Details of the data fitting procedures are given in Text S1, Section 1.4.
Application of statistical fitting procedures could have resulted in large biases in biomarker performance.
Further image calculation and fitting procedures were done using MATLAB® (The Mathworks Inc., Natick, MA, USA).
Boltzmann and time constant fitting procedures are as described previously.
Residualised scores were used for all model fitting procedures.
All fitting procedures were carried out in the wavenumber space.
Chemical synthesis, compound characterization, screening assays, curve fitting procedures, and imaging results.
From these measurements, intracellular fluxes can then be estimated by parameter fitting procedures [ 20, 21].
This is something to bear in mind when deciding on model fitting procedures.
The fitting procedures and experimental method are provided in more detail in the Supporting Information.
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