latex_report+=r"""\subsection*{Spectral data visualization}"""
latex_report+=r"""Acquired spectra were visualized in fig1 by plotting the intensity
of absorption, reflectance, transmission, etc, against the wavelengths or wavenumbers.
This helps observe general patterns and trends in the spectra, and understand the
variability within the data.
latex_report+=r"""Acquired spectra were visualized in fig.\ref{raw_spectra} by plotting the signal of the samples captured in the specific spectral range
This helps observe general patterns and trends in the spectra, and understand the variability within the data.
latex_report+=r"""\subsection*{Multivariable Data Analysis}"""
latex_report+=r""" For optimal selection of subset of the samples to analyze through the
reference method, a pipeline consisting of consecutively applying features extraction/dimensionality
latex_report+=r"""\indent For optimal selection of subset of the samples to analyze through the \cite{Lesnoff2020}
reference method, a pipeline consisting of consecutively applying features extraction/dimensionality\cite{BellonMaurel2010,scikit-learn}
reduction and clustering analysis was developed. Features extraction was performed by means of {"""+dim_red_methods[to_report[2]]+r"""}
technique which helps represent the high dimensional spectra in a reduced perceptible 3D
subspace spanned by a few number of features (three features in our case), while clustering analysis was performed
using the {"""+cluster_methods[to_report[3]]+r"""} technique which
helps group the data into groups of spectra that share the same carachteristics.\\*"""
helps group the data into groups of spectra that share the same carachteristics. """
latex_report+=r"""After applying the pipeline, a subset sampling method, consisting of"""
if'center'into_report:
latex_report+=r""" selecting {"""+to_report[7]+r"""} samples, each from a distict cluster, with the least euclidian distance to the center of the cluster identified by {"""+to_report[3]+r"""} and to which it the sample belongs."""
if'random'into_report:
latex_report+=r""" fitting a second clustering model, specifically kmeans, to each individual data cluster and selecting {"""+to_report[7]+r"""}
samples or less from each subcluster (if a subcluster contains less than {"""+to_report[7]+r"""} samples, then all samples included
in this subcluster are selected), was applied.\\"""
if"PCA"into_report:
latex_report+=r"""\indent To detect the presence of any spectral outliers, the influence and residuals plots were constructed,
with outlyingness limits established at the 95\% confidence level. Together, these plots helps distinguish regular observations,
...
...
@@ -104,10 +128,10 @@ def report(*args):
large residual distance to the subspace, but whose projection is on the subspace; and, finally, bad leverage
points, which have a large residual distance such that the projection on the subspace is away from regular observations.\\*"""
latex_report+="""\indent Results of applying this workflow are displayed in fig. 1. Based of the features extracted using
{"""+to_report[2]+r"""}, {"""+to_report[3]+r"""} revealed the existance of {"""+to_report[5]+r"""}
latex_report+="""\indent Results of applying this workflow are displayed in fig. 2. Based of the features extracted using
{"""+to_report[2]+r"""}, {"""+to_report[3]+r"""} revealed the existance of {"""+to_report[5]+r"""}
data clusters that are visualized with different colors.
\begin{figure}[h]
\begin{figure}[h!]
\captionsetup{justification=centering}
\centering
\begin{minipage}[b]{0.33\textwidth}
...
...
@@ -123,13 +147,12 @@ def report(*args):
\caption{Illustration of the pairwise projection of spectra onto the reduced 3 dimensional subspace, clustering, and sample selection
results: data points with the same color belong to the same cluster and data points colored in black correspond to the samples to be
analyzed by a standard reference analytical procedure}
\label{pcaplots}
\end{figure}"""
latex_report+=r""""""
\label{pcaplots}
\end{figure} """
if'PCA'into_report:
latex_report+=r"""
\begin{figure}[ht]
\begin{figure}[h!]
\centering
\begin{minipage}[b]{0.33\textwidth}
\centering
...
...
@@ -143,17 +166,9 @@ def report(*args):
\label{hotelling_and_influence}
\end{figure}
"""
latex_report+=r"""Following the exploratory data analysis, a subset sampling method, consisting of"""
if'center'into_report:
latex_report+=r""" selecting {"""+to_report[7]+r"""} samples, each from a distict cluster, with the least euclidian distance to the center of the cluster identified by {"""+to_report[3]+r"""} and to which it the sample belongs."""
if'random'into_report:
latex_report+=r""" fitting a second clustering model, specifically kmeans, to each individual data cluster and selecting {"""+to_report[7]+r"""}
samples or less from each subcluster (if a subcluster contains less than 3 samples, then all samples included
in this subcluster are selected), was applied."""
latex_report+=r"""The subset of selected samples are identified to be representative and are suggested to be used for robust NIR calibration developement
, i.e, to be analyzed by adequate reference analytical procedures (generally requiring destructive sample preparation)."""
latex_report+=r"""A subset of {"""+to_report[8]+r"""} samples were identified and selected to be representative and were suggested to be used for robust NIR calibration developement
, i.e, to be analyzed by adequate reference analytical procedures (generally requiring destructive sample preparation).
"""
elif'Predictive model development'into_report:
latex_report+=r"""\paragraph{}To develop a robust NIR calibration that formally correlates the spectral signature of the samples in the NIR region
...
...
@@ -186,6 +201,21 @@ def report(*args):
latex_report+=r"""Predictive modelling development was performed using the {"""+reg_algo[to_report[6]]+r"""} regression method."""
\caption{Visualizing important spectral regions identifiedin the PLS model on the raw and preprocessed average spectrum}
\caption{Visualizing important spectral regions identifiedin the PLS model on the raw and preprocessed average spectrum}
\label{fig:Histogram}
\end{figure}
"""
latex_report+=r"""After numerically analyzing the performance of the model, a visual investigation (figs 7 and 8) of goodness of model fit was performed to identify potential
issues such as a pattern, that has not been captured by the model, or outliers.\par.
