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<header id="header">
<img src="/css/LABI_logo.png" alt="Labi Logo Icon" id="imgLogo">
<div>
<h4>JuliaMSI </h4>
</div>
<q-space />
<div class="q-gutter-sm q-pa-sm">
<q-btn flat round icon="bug_report" v-on:click="showBugModal = true">
<q-tooltip>Report a Bug</q-tooltip>
</q-btn>
<q-btn flat round icon="refresh" color="negative" v-on:click="reset_session_btn = true">
<q-tooltip>Deep Session Reset</q-tooltip>
</q-btn>
</div>
</header>
<div v-if="is_initializing || is_processing" class="loading-overlay">
<div class="loading-content">
<q-spinner-hourglass color="white" size="4em" />
<div v-if="is_processing" class="q-mt-md"
style="width: 250px; background: rgba(255,255,255,0.2); border-radius: 10px; overflow: hidden; height: 12px; border: 1px solid rgba(255,255,255,0.3);">
<div
:style="{ width: (overall_progress * 100) + '%', height: '100%', background: '#00e676', transition: 'width 0.4s ease-out', boxShadow: '0 0 10px #00e676' }">
</div>
</div>
<div v-if="is_initializing" class="q-mt-md text-white text-h6">{{ initialization_message }}</div>
<div v-else class="q-mt-md text-white text-h6">{{ progress_message || 'Processing...' }}</div>
</div>
</div>
<div id="extDivStyle" class="row col-12 q-pa-xl">
<div class="row col-6">
<!-- Left DIV -->
<div id="intDivStyle-left" class="st-col col-12 st-module">
<q-tabs v-model="left_tab" dense class="text-grey" indicator-color="primary" align="justify">
<q-tab name="pre_treatment" label="Pre-Treatment"></q-tab>
<q-tab name="generator" label="Slice Generator"></q-tab>
<q-tab name="converter" label="Converter"></q-tab>
</q-tabs>
<q-separator></q-separator>
<q-tab-panels v-model="left_tab" animated>
<q-tab-panel name="pre_treatment">
<div class="text-h6">imzML & mzML Data Pre-Treatment</div>
<!-- File Selection & Batch Controls (keep existing) -->
<div class="row items-center">
<q-input standout="custom-standout" class="q-ma-sm cursor-pointer col" v-model="full_route" readonly
:label="batch_file_count > 0 ? batch_file_count + ' file(s) in batch' : 'Select an imzMl / mzML file'"
v-on:click="!is_processing && (btnSearch=true)" :disable="is_processing">
<template v-slot:append>
<q-icon name="search" v-on:click="!is_processing && (btnSearch=true)" class="cursor-pointer" />
</template>
</q-input>
<q-btn class="q-ma-sm" icon="add" v-on:click="btnAddBatch=true" label="Add"
:disable="is_processing"></q-btn>
<q-btn class="q-ma-sm" icon="clear" v-on:click="clear_batch_btn=true"
:disable="is_processing || batch_file_count === 0" label="Clear"></q-btn>
</div>
<!-- Mask Configuration -->
<div class="row items-center q-mb-md">
<q-toggle v-model="maskEnabled" label="Apply Mask During Preprocessing" color="green" class="q-mr-md"
:disable="is_processing" />
</div>
<!-- Subset Processing -->
<q-card class="q-mb-md" flat bordered>
<q-card-section>
<div class="row items-center no-wrap">
<div class="col">
<div class="text-subtitle2">Quick Test (Subset Processing)</div>
<div class="text-caption">Process only the first N spectra to quickly test parameters.</div>
</div>
<div class="col-auto">
<q-toggle v-model="enable_subset_processing" color="primary" :disable="is_processing" />
</div>
</div>
<div v-if="enable_subset_processing" class="q-mt-sm">
<q-input standout="custom-standout" type="number" v-model.number="spectra_subset_size"
label="Number of Spectra to Process" :min="1" :readonly="is_processing">
<template v-slot:prepend>
<q-icon name="functions" />
</template>
</q-input>
</div>
</q-card-section>
</q-card>
<p>{{msg}}</p>
<!-- Spectrum Selection for Visualization -->
<div class="row items-center q-mb-md">
<div class="text-subtitle2 q-mr-md">Preview Spectrum:</div>
<q-btn-dropdown class="q-ma-sm" :loading="is_processing" :disable="is_processing" label="Generate Spectra"
icon="play_arrow">
<q-list>
<q-item clickable v-close-popup v-on:click="createMeanPlot=true">
<q-item-label>Mean spectrum plot</q-item-label>
</q-item>
<q-item clickable v-close-popup v-on:click="createSumPlot=true">
<q-item-label>Sum Spectrum plot</q-item-label>
</q-item>
<q-item clickable v-close-popup v-on:click="createXYPlot=true">
<q-item-label>Spectrum plot (X,Y)</q-item-label>
</q-item>
<q-item clickable v-close-popup v-on:click="createNSpectrumPlot=true">
<q-item-section>
<q-item-label>Spectrum plot (ID)</q-item-label>
</q-item-section>
</q-item>
</q-list>
</q-btn-dropdown>
<div class="row col-6">
<div class="st-col col-3 col-sm-3 q-ma-sm">
<q-input standout="custom-standout" step="1" v-model="idSpectrum" label="Spectrum ID" type="number"
hint="Not for Mean/Sum plots." :readonly="is_processing"></q-input>
</div>
<div class="st-col col-3 col-sm-3 q-ma-sm">
<q-input standout="custom-standout" step="1" v-model="xCoord" label="X coord" type="number" :rules="[
val => !SpectraEnabled ? ( val >= 0 || 'Needs to be bigger than 0') : true
]" :readonly="is_processing"></q-input>
</div>
<div class="st-col col-3 col-sm-3 q-ma-sm">
<q-input standout="custom-standout" step="1" v-model="yCoord" label="Y coord" type="number" :rules="[
val => !SpectraEnabled ? ( val >= 0 || 'Needs to be bigger than 0') : true
]" :readonly="is_processing"></q-input>
</div>
</div>
</div>
<!-- Internal Standards (Collapsible) -->
<q-expansion-item icon="science" label="Internal Standards" caption="Manage reference peaks for calibration"
class="q-mb-md">
<q-card>
<q-card-section>
<q-toggle v-model="enable_standards" v-on:click="enable_standards" label="Use Internal Standards"
color="primary" class="q-mb-md" :disable="is_processing" />
<!-- Keep your existing reference_peaks_list implementation -->
<q-list bordered separator class="q-mt-md">
<q-item v-for="(peak, index) in reference_peaks_list" :key="index">
<q-item-section avatar>
<q-btn flat round icon="delete" color="negative"
v-on:click="action_index = index; remove_peak_trigger = true" :disable="is_processing"></q-btn>
</q-item-section>
<q-item-section>
<div class="row q-col-gutter-sm">
<div class="col-6">
<q-input standout="custom-standout" label="m/z" type="number" step="0.0001" v-model="peak.mz"
:rules="[val => !!val || 'Required', val => val > 0 || 'Must be positive']"
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Label (optional)" v-model="peak.label"
:readonly="is_processing"></q-input>
</div>
</div>
</q-item-section>
</q-item>
<q-item>
<q-item-section>
<q-btn class="q-ma-sm btn-style" icon="add" label="Add Reference Peak"
v-on:click="addReferencePeak=true" :disable="is_processing"></q-btn>
</q-item-section>
</q-item>
</q-list>
<div class="row justify-end q-mt-sm">
<q-btn class="q-ma-sm" dense icon="get_app" v-on:click="export_standards_btn=true" label="Export"
outline :disable="is_processing" hint="Export standards list to a JSON file." />
<q-btn class="q-ma-sm" dense icon="upload_file" v-on:click="import_standards_btn=true" label="Import"
outline :disable="is_processing" hint="Import standards list from a JSON file." />
<q-btn class="q-ma-sm" icon="functions" v-on:click="recalculate_suggestions_btn=true"
label="Recalculate Suggestions" outline
hint="Re-run automatic parameter suggestion using the current list of internal standards."
:disable="is_processing" />
</div>
</q-card-section>
</q-card>
</q-expansion-item>
<!-- Reorderable Preprocessing Steps -->
<div class="text-h6 q-mb-md">Preprocessing Pipeline</div>
<q-list bordered :disable="is_processing">
<q-expansion-item v-for="(step, index) in pipeline_step_order" :key="step.name" :label="step.label"
group="preprocessing-steps" :class="step.enabled ? '' : 'text-grey'" :disable="is_processing">
<!-- Header with controls -->
<template v-slot:header>
<q-item-section avatar>
<div class="row no-wrap">
<q-btn flat round icon="arrow_upward" size="sm" :disable="is_processing || index === 0"
v-on:click.stop="action_index = index; move_step_up_trigger = true"></q-btn>
<q-btn flat round icon="arrow_downward" size="sm"
:disable="is_processing || index === pipeline_step_order.length - 1"
v-on:click.stop="action_index = index; move_step_down_trigger = true"></q-btn>
</div>
</q-item-section>
<q-item-section>
{{ step.label }}
</q-item-section>
<q-item-section side>
<q-toggle v-model="step.enabled" color="green"
v-on:click.stop="action_index = index; toggle_step_trigger = true" :disable="is_processing" />
</q-item-section>
</template>
<!-- Step-specific parameters -->
<q-card v-if="step.name === 'stabilization'">
<q-card-section>
<q-radio v-model="stabilization_method" val="sqrt" label="SQRT" :disable="is_processing" />
<q-radio v-model="stabilization_method" val="log" label="LOG" :disable="is_processing" />
<q-radio v-model="stabilization_method" val="log2" label="LOG 2" :disable="is_processing" />
<q-radio v-model="stabilization_method" val="log10" label="LOG 10" :disable="is_processing" />
<q-radio v-model="stabilization_method" val="log1p" label="LOG 1P" :disable="is_processing" />
</q-card-section>
</q-card>
<q-card v-if="step.name === 'smoothing'">
<q-card-section>
<q-radio v-model="smoothing_method" val="sg" label="Savitzky-Golay" :disable="is_processing" />
<q-radio v-model="smoothing_method" val="ma" label="Moving Average" :disable="is_processing" />
<div class="row q-col-gutter-sm q-mt-md">
<div class="col-6">
<q-input standout="custom-standout" label="Window Size" v-model="smoothing_window" type="number"
:readonly="is_processing" />
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Order (Savitzky-Golay)" v-model="smoothing_order"
type="number" :readonly="is_processing" />
</div>
</div>
</q-card-section>
</q-card>
<q-card v-if="step.name === 'baseline_correction'">
<q-card-section>
<div class="text-h6">Method</div>
<div class="text-caption">The algorithm to use for baseline correction.</div>
</q-card-section>
<q-card-section>
<q-radio v-model="baseline_method" val="snip" label="SNIP"
hint="Sensitive Nonlinear Iterative Peak clipping." :disable="is_processing" /><br>
<q-radio v-model="baseline_method" val="convex_hull" label="CONVEX HULL"
hint="Finds the lower convex hull of the spectrum." :disable="is_processing" /><br>
<q-radio v-model="baseline_method" val="median" label="MEDIAN" hint="Moving median filter."
:disable="is_processing" /><br>
</q-card-section>
<q-card-section>
<div class="text-h6">Parameters</div>
</q-card-section>
<q-card-section>
<div class="row q-col-gutter-sm">
<div class="col-6">
<q-input standout="custom-standout" label="Iterations (for SNIP)" type="number"
:placeholder="suggested_baseline_iterations" v-model="baseline_iterations"
hint="The number of iterations for the SNIP algorithm. A higher number results in a more aggressive baseline."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Window (for Median)" type="number"
:placeholder="suggested_baseline_window" v-model="baseline_window"
hint="The window size for the median method, determining the local region for median calculation."
:readonly="is_processing"></q-input>
</div>
</div>
</q-card-section>
</q-card>
<q-card v-if="step.name === 'normalization'">
<q-card-section>
<div class="text-h6">Method</div>
<div class="text-caption">The normalization method to apply.</div>
</q-card-section>
<q-card-section>
<q-radio v-model="normalization_method" val="tic" label="TIC"
hint="Total Ion Current normalization (divides by the sum of intensities)."
:disable="is_processing" /><br>
<q-radio v-model="normalization_method" val="median" label="MEDIAN"
hint="Divides by the median intensity." :disable="is_processing" /><br>
<q-radio v-model="normalization_method" val="rms" label="RMS" hint="Root Mean Square normalization."
:disable="is_processing" /><br>
<q-radio v-model="normalization_method" val="none" label="NONE" hint="No normalization is applied."
:disable="is_processing" /><br>
</q-card-section>
</q-card>
<q-card v-if="step.name === 'peak_alignment'">
<q-card-section>
<div class="text-h6">Method</div>
<div class="text-caption">The alignment algorithm.</div>
</q-card-section>
<q-card-section>
<q-radio v-model="alignment_method" val="lowess" label="LOWESS"
hint="Locally Weighted Scatterplot Smoothing regression." :disable="is_processing" /><br>
<q-radio v-model="alignment_method" val="linear" label="LINEAR" hint="Linear regression."
:disable="is_processing" /><br>
<q-radio v-model="alignment_method" val="ransac" label="RANSAC"
hint="Random Sample Consensus algorithm for robust fitting." :disable="is_processing" /><br>
</q-card-section>
<q-card-section>
<div class="text-h6">Parameters</div>
</q-card-section>
<q-card-section>
<div class="row q-col-gutter-sm">
<div class="col-6">
<q-input standout="custom-standout" label="Span (for LOWESS)" type="number" step="0.01"
:placeholder="suggested_alignment_span" v-model="alignment_span"
:rules="[val => val >= 0.0 && val <= 1.0 || 'Needs to be between 0 and 1']"
hint="The span parameter for LOWESS regression, controlling smoothness (0.0 to 1.0)."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Tolerance" type="number" step="0.001"
:placeholder="suggested_alignment_tolerance" v-model="alignment_tolerance"
hint="The tolerance for matching peaks between the target and reference spectrum."
:readonly="is_processing"></q-input>
</div>
</div>
<q-select standout="custom-standout" label="Tolerance Unit" v-model="alignment_tolerance_unit"
:options="['mz', 'ppm']" class="q-mt-md"
hint="The unit for tolerance, either 'mz' (absolute) or 'ppm' (relative)."
:disable="is_processing"></q-select>
<div class="row q-col-gutter-sm q-mt-md">
<div class="col-6">
<q-input standout="custom-standout" label="Max Shift PPM" type="number"
:placeholder="suggested_alignment_max_shift_ppm" v-model="alignment_max_shift_ppm"
hint="The maximum allowed m/z shift in ppm to prevent spurious peak matches."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Min Matched Peaks" type="number"
:placeholder="suggested_alignment_min_matched_peaks" v-model="alignment_min_matched_peaks"
hint="The minimum number of matching peaks required to perform the alignment."
:readonly="is_processing"></q-input>
</div>
</div>
</q-card-section>
</q-card>
<q-card v-if="step.name === 'calibration'">
<q-card-section>
<div class="text-h6">Parameters</div>
</q-card-section>
<q-card-section>
<div class="row q-col-gutter-sm">
<div class="col-6">
<q-input standout="custom-standout" label="Fit Order" type="number"
:placeholder="suggested_calibration_fit_order" v-model="calibration_fit_order"
hint="Polynomial order for the calibration curve (e.g., 1 or 2)."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="PPM Tolerance" type="number"
:placeholder="suggested_calibration_ppm_tolerance" v-model="calibration_ppm_tolerance"
hint="PPM tolerance for matching reference peaks to internal standards."
:readonly="is_processing"></q-input>
</div>
</div>
</q-card-section>
</q-card>
<q-card v-if="step.name === 'peak_picking'">
<q-card-section>
<div class="text-h6">Method</div>
<div class="text-caption">The peak detection algorithm.</div>
</q-card-section>
<q-card-section>
<q-radio v-model="peak_picking_method" val="profile" label="PROFILE"
hint="For profile-mode data, using local maxima and quality filters."
:disable="is_processing" /><br>
<q-radio v-model="peak_picking_method" val="wavelet" label="WAVELET"
hint="Continuous Wavelet Transform (CWT) based peak detection." :disable="is_processing" /><br>
<q-radio v-model="peak_picking_method" val="centroid" label="CENTROID"
hint="For centroid-mode data, essentially a filtering step." :disable="is_processing" /><br>
</q-card-section>
<q-card-section>
<div class="text-h6">Parameters</div>
</q-card-section>
<q-card-section>
<div class="row q-col-gutter-sm">
<div class="col-6">
<q-input standout="custom-standout" label="Signal to Noise Threshold" type="number" step="0.1"
:placeholder="suggested_peak_picking_snr_threshold" v-model="peak_picking_snr_threshold"
hint="Signal-to-Noise Ratio threshold. Peaks with SNR below this value are discarded."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Half Window Size" type="number"
:placeholder="suggested_peak_picking_half_window" v-model="peak_picking_half_window"
hint="Number of data points to the left and right of a potential peak to consider for local maximum detection (for Profile method)."
:readonly="is_processing"></q-input>
</div>
</div>
<div class="row q-col-gutter-sm q-mt-md">
<div class="col-6">
<q-input standout="custom-standout" label="Min Peak Prominence" type="number" step="0.01"
:placeholder="suggested_peak_picking_min_peak_prominence"
v-model="peak_picking_min_peak_prominence"
hint="Minimum required prominence of a peak, expressed as a fraction of its height."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Merge Peaks Tolerance (m/z)" type="number" step="0.001"
:placeholder="suggested_peak_picking_merge_peaks_tolerance"
v-model="peak_picking_merge_peaks_tolerance"
hint="The m/z tolerance within which to merge adjacent peaks, keeping the more intense one."
:readonly="is_processing"></q-input>
</div>
</div>
<div class="row q-col-gutter-sm q-mt-md">
<div class="col-6">
<q-input standout="custom-standout" label="Min Peak Width (PPM)" type="number"
:placeholder="suggested_peak_picking_min_peak_width_ppm"
v-model="peak_picking_min_peak_width_ppm" hint="Minimum acceptable peak width (FWHM) in ppm."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Max Peak Width (PPM)" type="number"
:placeholder="suggested_peak_picking_max_peak_width_ppm"
v-model="peak_picking_max_peak_width_ppm" hint="Maximum acceptable peak width (FWHM) in ppm."
:readonly="is_processing"></q-input>
</div>
</div>
<q-input standout="custom-standout" label="Min Peak Shape R2" type="number" step="0.01"
class="q-mt-md" :placeholder="suggested_peak_picking_min_peak_shape_r2"
v-model="peak_picking_min_peak_shape_r2"
hint="Minimum R-squared value from a Gaussian fit to the peak, used as a quality measure for peak shape."
:readonly="is_processing"></q-input>
</q-card-section>
</q-card>
<q-card v-if="step.name === 'peak_selection'">
<q-card-section>
<div class="text-h6">Peak Quality Filters</div>
</q-card-section>
<q-card-section>
<div class="row q-col-gutter-sm">
<div class="col-6">
<q-input standout="custom-standout" label="Min SNR" type="number" step="0.1"
:placeholder="suggested_peak_selection_min_snr" v-model="peak_selection_min_snr"
hint="Minimum Signal-to-Noise Ratio for a peak to be kept." :readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Min FWHM (PPM)" type="number"
:placeholder="suggested_peak_selection_min_fwhm_ppm" v-model="peak_selection_min_fwhm_ppm"
hint="Minimum Full Width at Half Maximum (FWHM) in ppm for a peak to be kept."
:readonly="is_processing"></q-input>
</div>
</div>
<div class="row q-col-gutter-sm q-mt-md">
<div class="col-6">
<q-input standout="custom-standout" label="Max FWHM (PPM)" type="number"
:placeholder="suggested_peak_selection_max_fwhm_ppm" v-model="peak_selection_max_fwhm_ppm"
hint="Maximum Full Width at Half Maximum (FWHM) in ppm for a peak to be kept."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Min Peak Shape R2" type="number" step="0.01"
:placeholder="suggested_peak_selection_min_shape_r2" v-model="peak_selection_min_shape_r2"
hint="Minimum R-squared value from a Gaussian fit, filtering for good peak shape."
:readonly="is_processing"></q-input>
</div>
</div>
<div class="row q-col-gutter-sm q-mt-md">
<div class="col-6">
<q-input standout="custom-standout" label="Frequency Threshold" type="number" step="0.01"
:placeholder="suggested_peak_selection_frequency_threshold"
v-model="peak_selection_frequency_threshold"
hint="The minimum fraction of spectra a peak must be present in to be kept (0.0 to 1.0)."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Correlation Threshold" type="number" step="0.01"
:placeholder="suggested_peak_selection_correlation_threshold"
v-model="peak_selection_correlation_threshold"
hint="Minimum correlation with neighboring peaks (not yet implemented)."
:readonly="is_processing"></q-input>
</div>
</div>
</q-card-section>
</q-card>
<q-card v-if="step.name === 'peak_binning'">
<q-card-section>
<div class="text-h6">Method</div>
<div class="text-caption">The binning strategy.</div>
</q-card-section>
<q-card-section>
<q-radio v-model="binning_method" val="adaptive" label="ADAPTIVE"
hint="Creates bins based on the density of detected peaks." :disable="is_processing" /><br>
<q-radio v-model="binning_method" val="uniform" label="UNIFORM"
hint="Creates a fixed number of equally spaced bins over the m/z range."
:disable="is_processing" /><br>
</q-card-section>
<q-card-section>
<div class="text-h6">Parameters</div>
</q-card-section>
<q-card-section>
<div class="row q-col-gutter-sm">
<div class="col-6">
<q-input standout="custom-standout" label="Tolerance (for Adaptive)" type="number" step="0.001"
:placeholder="suggested_binning_tolerance" v-model="binning_tolerance"
hint="Tolerance for grouping peaks into a bin in adaptive mode."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-select standout="custom-standout" label="Tolerance Unit" v-model="binning_tolerance_unit"
:options="['mz', 'ppm']"
hint="The unit for tolerance, either 'mz' (absolute) or 'ppm' (relative)."
:disable="is_processing"></q-select>
</div>
</div>
<div class="row q-col-gutter-sm q-mt-md">
<div class="col-6">
<q-input standout="custom-standout" label="Frequency Threshold" type="number" step="0.01"
:placeholder="suggested_binning_frequency_threshold" v-model="binning_frequency_threshold"
hint="The minimum fraction of spectra a bin must contain a peak in to be kept (0.0 to 1.0)."
:readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Min Peaks Per Bin" type="number"
:placeholder="suggested_binning_min_peak_per_bin" v-model="binning_min_peak_per_bin"
hint="The minimum number of individual peaks required to form a bin in adaptive mode."
:readonly="is_processing"></q-input>
</div>
</div>
<div class="row q-col-gutter-sm q-mt-md">
<div class="col-6">
<q-input standout="custom-standout" label="Max Bin Width (PPM)" type="number"
:placeholder="suggested_binning_max_bin_width_ppm" v-model="binning_max_bin_width_ppm"
hint="Maximum width of a bin in ppm for adaptive mode." :readonly="is_processing"></q-input>
</div>
<div class="col-6">
<q-input standout="custom-standout" label="Number of Uniform Bins" type="number"
:placeholder="suggested_binning_num_uniform_bins" v-model="binning_num_uniform_bins"
hint="The number of bins to create for the uniform method." :readonly="is_processing"></q-input>
</div>
</div>
<q-toggle v-model="binning_intensity_weighted_centers" v-on:click="binning_intensity_weighted_centers"
label="Intensity Weighted Centers" class="q-mt-md"
hint="If enabled, calculates bin centers as an intensity-weighted average of the peaks within it."
:disable="is_processing"></q-toggle>
</q-card-section>
</q-card>
</q-expansion-item>
</q-list>
<!-- Pipeline Controls -->
<div class="row justify-end items-center q-mt-md">
<q-btn class="q-ma-sm" icon="get_app" v-on:click="export_params_btn=true" label="Export Params" outline
:disable="is_processing" />
<q-btn class="q-ma-sm" icon="upload_file" v-on:click="import_params_btn=true" label="Import Params" outline
:disable="is_processing" />
<q-btn :loading="is_processing" class="q-ma-sm btn-style" icon="play_arrow"
v-on:click="run_full_pipeline=true" padding="lg" label="Run Pipeline" :disable="is_processing" />
</div>
</q-tab-panel>
<q-tab-panel name="generator">
<div class="text-h6">imzML & mzML Data Processor</div>
<p>Please make sure the ibd and imzML file are located in the same directory and have the same name.
<br>It may take a while to generate the slice / spectrum, please be patient.
<br>To generate the contour or surface plots, you have to select the desired slice first using the
interface.
</p>
<div class="row items-center">
<q-input standout="custom-standout" class="q-ma-sm cursor-pointer col" v-model="full_route" readonly
:label="batch_file_count > 0 ? batch_file_count + ' file(s) in batch' : 'Select an imzMl / mzML file'"
v-on:click="btnSearch=true" :disable="is_processing">
<template v-slot:append>
<q-icon name="search" v-on:click="btnSearch=true" class="cursor-pointer" :disable="is_processing" />
</template>
</q-input>
<q-btn class="q-ma-sm" icon="add" v-on:click="btnAddBatch=true" label="Add"
:disable="is_processing"></q-btn>
<q-btn class="q-ma-sm" icon="clear" v-on:click="clear_batch_btn=true"
:disable="is_processing || batch_file_count === 0" label="Clear"></q-btn>
</div>
<q-list bordered separator v-if="selected_files.length > 0">
<q-item v-for="(file, index) in selected_files" :key="index">
<q-item-section>
{{ file }}
</q-item-section>
<q-item-section side>
<q-btn flat round icon="delete" size="sm" v-on:click="selected_files.splice(index, 1)"
:disable="is_processing"></q-btn>
</q-item-section>
</q-item>
</q-list>
<!-- Variable Manipulation -->
<div class="row">
<div class="st-col col-4 col-sm q-ma-sm">
<q-input standout="custom-standout" id="textNmass" v-model="Nmass"
label="Mass-to-charge ratio(s) of interest" type="text" :rules="[
val => !!val || '* Required',
val => val.split(',').every(m => !isNaN(parseFloat(m.trim())) && parseFloat(m.trim()) > 0) || 'Need comma-separated positive numbers'
]" :readonly="is_processing">
</q-input>
</div>
<div class="st-col col-4 col-sm q-ma-sm">
<q-input standout="custom-standout" id="textTol" step="0.005" v-model="Tol"
label="Mass-to-charge ratio tolerance" type="number"
:rules="[val => !!val || '* Required', val => val >= 0.0 && val <= 1.0 || 'Needs to be in range between 0 and 1']"
:readonly="is_processing"></q-input>
</div>
<div class="st-col col-4 col-sm q-ma-sm">
<q-input standout="custom-standout" id="textcolorLevel" step="1" v-model="colorLevel" label="Color levels"
type="number"
:rules="[ val => !!val || '* Required', val => val >= 2 && val <= 256 || 'Needs to be in range between 2 and 256']"
:readonly="is_processing"></q-input>
</div>
</div>
<div class="row">
<!-- Triq Variable Manipulation and filters-->
<div class="col-6">
<div class="st-col col-6 col-sm q-ma-sm">
<q-toggle id="btnEnableMFilter" v-on:click="MFilterEnabled" v-model="MFilterEnabled" color="green"
label="Add Median Filter" :disable="is_processing"></q-toggle>
<q-toggle id="btnEnableTriq" v-on:click="triqEnabled" v-model="triqEnabled" color="blue"
label="Add Threshold Intensity Quantization (TrIQ)" :disable="is_processing"></q-toggle>
<q-toggle id="btnEnableMask" v-on:click="maskEnabled" v-model="maskEnabled" color="black"
label="Use Mask To Filter Data" :disable="is_processing"></q-toggle>
</div>
<div class="row">
<div class="st-col col-4 col-sm-4 q-ma-sm">
<q-input standout="custom-standout" id="textTriqProb" step="0.01" v-model="triqProb"
label="TrIQ probability" type="number" :rules="[
val => triqEnabled ? ( '* Required', val >= 0.8 && val <= 1 || 'Needs to be in range between 0.8 and 1') : true
]" :readonly="is_processing || !triqEnabled"
:disable="is_processing || !triqEnabled"></q-input>
</div>
</div>
</div>
<!-- Spectra Plot Manipulation -->
<div class="col-6">
<div class="st-col col-6 col-sm">
<q-btn-dropdown class="q-ma-sm btn-style" :loading="is_processing" :disable="is_processing"
label="Generate Spectra" icon="play_arrow">
<template v-slot:loading>
<q-spinner-hourglass class="on-left" />
Loading plot
</template>
<q-list>
<q-item clickable v-close-popup v-on:click="createMeanPlot=true">
<q-item-section>
<q-item-label>Mean spectrum plot</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="createSumPlot=true">
<q-item-section>
<q-item-label>Sum Spectrum plot</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="createXYPlot=true">
<q-item-section>
<q-item-label>Spectrum plot (X,Y)</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="createNSpectrumPlot=true">
<q-item-section>
<q-item-label>Spectrum plot (ID)</q-item-label>
</q-item-section>
</q-item>
</q-list>
</q-btn-dropdown>
</div>
<div class="row col-6">
<div class="st-col col-4 col-sm-4 q-ma-sm">
<q-input standout="custom-standout" step="1" v-model="idSpectrum" label="Spectrum ID" type="number"
hint="Not for Mean/Sum plots." :readonly="is_processing"></q-input>
</div>
<div class="st-col col-4 col-sm-4 q-ma-sm">
<q-input standout="custom-standout" step="1" v-model="xCoord" label="X coord" type="number" :rules="[
val => SpectraEnabled ? ( '* Required', val >= 0|| 'Needs to be bigger than 0') : true
]" :readonly="is_processing"></q-input>
</div>
<div class="st-col col-4 col-sm-4 q-ma-sm">
<q-input standout="custom-standout" step="1" v-model="yCoord" label="Y coord" type="number" :rules="[
val => SpectraEnabled ? ( '* Required', val <= 0|| 'Needs to be lower than 0') : true
]" :readonly="is_processing"></q-input>
</div>
</div>
</div>
</div>
<div class="row">
<q-btn :loading="is_processing" class="q-ma-sm btn-style" :disable="is_processing" icon="play_arrow"
v-on:click="mainProcess=true" padding="lg" label="Generate Slice">
<template v-slot:loading>
<q-spinner-hourglass class="on-left" />
Loading...
</template>
</q-btn>
<q-btn icon="zoom_out_map" class="q-ma-sm on-right btn-style" v-on:click="compareBtn=true" padding="sm"
label="Compare" :disable="is_processing"></q-btn>
<q-btn class="q-ma-sm btn-style" icon="edit" label="Mask Editor" href="/mask"
:disable="is_processing"></q-btn>
<q-btn class="q-ma-sm btn-style" icon="dashboard" v-on:click="showMetadataBtn=true" label="Show Metadata"
:disable="is_processing"></q-btn>
<div class="q-pa-md row items-center" v-show="is_processing">
<q-spinner color="primary" size="2em" class="q-mr-sm"></q-spinner>
<div class="text-caption">{{ progress_message }}</div>
</div>
</div>
<p>{{msg}}</p>
<div class="row st-col col-12">
<q-btn-dropdown class="q-ma-sm btn-style" :loading="is_processing" :disable="is_processing"
label="Generate Plots" icon="play_arrow">
<template v-slot:loading>
<q-spinner-hourglass class="on-left" />
Loading plot
</template>
<q-list>
<q-item clickable v-close-popup v-on:click="imageCPlot=true">
<q-item-section>
<q-item-label>Image topography Plot</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="triqCPlot=true">
<q-item-section>
<q-item-label>TrIQ topography Plot</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="image3dPlot=true">
<q-item-section>
<q-item-label>Image surface Plot</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="triq3dPlot=true">
<q-item-section>
<q-item-label>TrIQ Surface Plot</q-item-label>
</q-item-section>
</q-item>
</q-list>
</q-btn-dropdown>
<q-btn-dropdown icon="search" class="q-ma-sm btn-style" :disable="is_processing"
label="Load your optical image">
<q-item clickable v-close-popup v-on:click="btnOptical=true">
<q-item-section>
<q-item-label>Over normal image</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="btnOpticalT=true">
<q-item-section>
<q-item-label>Over TrIQ image</q-item-label>
</q-item-section>
</q-item>
</q-btn-dropdown>
<div class="q-mx-sm">
<q-slider color="black" v-model="imgTrans" :min="0.0" :max="1" :step="0.1" :disable="is_processing" />
<q-badge style="background-color: #009f90;"> Transparency: {{ imgTrans }}</q-badge>
</div>
</div>
</q-tab-panel>
<q-tab-panel name="converter">
<div class="text-h6">mzML to imzML Converter</div>
<p>Select the .mzML file and the corresponding .txt synchronization file to convert them into an .imzML/.ibd
pair.</p>
<q-input standout="custom-standout" class="q-ma-sm cursor-pointer" v-model="mzml_full_route" readonly
label="Select your .mzML file" v-on:click="btnSearchMzml=true" :disable="is_processing">
<template v-slot:append>
<q-icon name="search" v-on:click="btnSearchMzml=true" class="cursor-pointer" :disable="is_processing" />
</template>
</q-input>
<q-input standout="custom-standout" class="q-ma-sm cursor-pointer" v-model="sync_full_route" readonly
label="Select your .txt sync file" v-on:click="btnSearchSync=true" :disable="is_processing">
<template v-slot:append>
<q-icon name="search" v-on:click="btnSearchSync=true" class="cursor-pointer" :disable="is_processing" />
</template>
</q-input>
<q-btn :loading="is_processing" class="q-ma-sm btn-style" :disable="is_processing || btnConvertDisable"
icon="swap_horiz" v-on:click="convert_process=true" padding="lg" label="Convert File">
<template v-slot:loading>
<q-spinner-hourglass class="on-left" />
Converting...
</template>
</q-btn>
<p>{{msg_conversion}}</p>
</q-tab-panel>
</q-tab-panels>
</div>
</div>
<div class="row col-6">
<!-- Right DIV -->
<div id="intDivStyle-right" class="st-col col-12 col-sm st-module">
<div v-if="left_tab === 'pre_treatment'">
<div class="text-h6 q-mb-md">Spectrum View</div>
<q-card class="q-mb-md">
<q-card-section>
<div class="text-subtitle1">Before Preprocessing</div>
</q-card-section>
<q-card-section>
<plotly id="plotSpectraBefore" :data="plotdata_before" :layout="plotlayout_before"
class="q-pa-none q-ma-none"></plotly>
</q-card-section>
</q-card>
<q-card>
<q-card-section>
<div class="text-subtitle1">After Preprocessing</div>
</q-card-section>
<q-card-section>
<plotly id="plotSpectraAfter" :data="plotdata_after" :layout="plotlayout_after" class="q-pa-none q-ma-none">
</plotly>
</q-card-section>
</q-card>
</div>
<div v-else>
<st-tabs id="tabHeader-main" :ids="tabIDs" :labels="tabLabels" v-model="selectedTab" no-arrows></st-tabs>
<q-tab-panels v-model="selectedTab">
<q-tab-panel name="tab0">
<!-- Content for Tab 0 -->
<h6>Image visualizer</h6>
<div class="row items-center">
<q-select v-model="selected_folder_main" :options="image_available_folders" label="Select Dataset"
class="q-ma-sm" style="min-width: 200px;" v-on:focus="refetch_folders = true"></q-select>
<q-space></q-space>
<q-btn icon="arrow_back" class="q-my-sm btn-style" v-on:click="imgMinus=true"
:disable="is_processing"></q-btn>
<q-btn icon="arrow_forward" class="q-my-sm on-right btn-style" v-on:click="imgPlus=true"
:disable="is_processing"></q-btn>
</div>
<!-- Image manager -->
<div id="image-container-normal" class="row st-col col-12">
<div class="col-10 q-pa-none q-ma-none">
<plotly id="plotImg" :data="plotdataImg" :layout="plotlayoutImg" class="q-pa-none q-ma-none sync_data"
v-on:click="data_click"></plotly>
</div>
<div class="col-2 q-pa-none q-ma-none">
<q-img id="colorbar-normal" class="q-ma-none q-pa-none" :src="colorbar"></q-img>
</div>
</div>
<p v-html="msgimg"></p>
</q-tab-panel>
<q-tab-panel name="tab1">
<!-- Content for Tab 1 -->
<h6>TrIQ visualizer</h6>
<div class="row items-center">
<q-select v-model="selected_folder_main" :options="image_available_folders" label="Select Dataset"
class="q-ma-sm" style="min-width: 200px;" v-on:focus="refetch_folders = true"></q-select>
<q-space></q-space>
<q-btn icon="arrow_back" class="q-my-sm btn-style" v-on:click="imgMinusT=true"
:disable="is_processing"></q-btn>
<q-btn icon="arrow_forward" class="q-my-sm on-right btn-style" v-on:click="imgPlusT=true"
:disable="is_processing"></q-btn>
</div>
<!-- Triq Image manager -->
<div id="image-container-triq" class="row st-col col-12">
<div class="col-10 q-pa-none q-ma-none ">
<plotly id="plotImgT" :data="plotdataImgT" :layout="plotlayoutImgT"
class="q-pa-none q-ma-none sync_data" v-on:click="data_click"></plotly>
</div>
<div class="col-2 q-pa-none q-ma-none ">
<q-img id="colorbar-triq" class="q-ma-none q-pa-none" :src="colorbarT"></q-img>
</div>
</div>
<p v-html="msgtriq"></p>
</q-tab-panel>
<q-tab-panel name="tab2">
<div class="row items-center">
<q-select v-model="selected_folder_main" :options="available_folders" label="Select Dataset"
class="q-ma-sm" style="min-width: 200px;" v-on:focus="refetch_folders = true"></q-select>
<q-btn-dropdown class="q-ma-sm btn-style" :loading="is_processing" :disable="is_processing"
label="Generate Spectra" icon="play_arrow">
<template v-slot:loading>
<q-spinner-hourglass class="on-left" />
Loading plot
</template>
<q-list>
<q-item clickable v-close-popup v-on:click="createMeanPlot=true">
<q-item-section>
<q-item-label>Mean spectrum plot</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="createSumPlot=true">
<q-item-section>
<q-item-label>Sum Spectrum plot</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="createXYPlot=true">
<q-item-section>
<q-item-label>Spectrum plot (X,Y)</q-item-label>
</q-item-section>
</q-item>
<q-item clickable v-close-popup v-on:click="createNSpectrumPlot=true">
<q-item-section>
<q-item-label>Spectrum plot (ID)</q-item-label>
</q-item-section>
</q-item>
</q-list>
</q-btn-dropdown>
</div>
<plotly id="plotSpectra" :data="plotdata" :layout="plotlayout" class="q-pa-none q-ma-none"></plotly>
</q-tab-panel>
<q-tab-panel name="tab3">
<!-- Content for Tab 3 -->
<plotly id="plotTopo" :data="plotdataC" :layout="plotlayoutC" class="q-pa-none q-ma-none"></plotly>
</q-tab-panel>
<q-tab-panel name="tab4">
<!-- Content for Tab 4 -->
<plotly id="plot3d" :data="plotdata3d" :layout="plotlayout3d" class="q-pa-none q-ma-none"></plotly>
</q-tab-panel>
</q-tab-panels>
</div>
</div>
</div>
</div>
<q-dialog v-model="warning_msg">
<q-card>
<q-card-section>
<div class="text-h6">Warning</div>
</q-card-section>
<q-card-section class="q-pt-none">
{{msg}}
</q-card-section>
<q-card-actions align="right">
<q-btn flat label="Ok" style="color:#009f90" v-close-popup />
</q-card-actions>
</q-card>
</q-dialog>
<q-dialog v-model="CompareDialog" full-width>
<q-card>
<q-card-section class="row items-center">
<div class="text-h6 q-ma-sm">Compare two different images or plots</div>
<div class="q-mx-sm">
<q-slider color="black" v-model="imgTrans" :min="0.0" :max="1" :step="0.1" :disable="is_processing" />
<q-badge style="background-color: #009f90;"> Transparency: {{ imgTrans }}</q-badge>
</div>
<q-toggle id="btnOpticalOver" v-on:click="opticalOverTriq" v-model="opticalOverTriq" color="black"
label="Optical over TrIQ" :disable="is_processing"></q-toggle>
</q-card-section>
<q-card-section class="q-pt-none col-12">
<div class="row">
<div class="col-6">
<div class="row items-center">
<q-select v-model="selected_folder_compare_left" :options="image_available_folders"
label="Select Left Dataset" class="q-ma-sm" style="min-width: 200px;" v-on:focus="refetch_folders = true"
:disable="is_processing"></q-select>
<q-space></q-space>
<st-tabs id="tabHeaderCompareLeft" :ids="CompTabIDsLeft" :labels="CompTabLabelsLeft"
v-model="CompSelectedTabLeft"></st-tabs>
</div>
<q-tab-panels v-model="CompSelectedTabLeft">
<q-tab-panel name="tab0">
<!-- Content for Tab 0 -->
<!-- Btn image changer -->
<div>
<q-btn icon="arrow_back" class="q-my-sm btn-style" v-on:click="imgMinusCompLeft=true"
:disable="is_processing"></q-btn>
<q-btn icon="arrow_forward" class="q-my-sm on-right btn-style" v-on:click="imgPlusCompLeft=true"
:disable="is_processing"></q-btn>
</div>
<!-- Image manager -->
<div id="image-container-compare-left-normal" class="row st-col col-12">
<div class="col-10 q-pa-none q-ma-none ">
<plotly id="plotImgCompareLeft" :data="plotdataImgCompLeft" :layout="plotlayoutImgCompLeft"
class="q-pa-none q-ma-none">
</plotly>
</div>
<div class="col-2">
<q-img id="colorbarCompareLeft" class="q-ma-none q-pa-none" :src="colorbarCompLeft"></q-img>
</div>
</div>
<p v-html="msgimgCompLeft"></p>
</q-tab-panel>
<q-tab-panel name="tab1">
<!-- Content for Tab 1 -->
<!-- Triq Btn image changer -->
<div>
<q-btn icon="arrow_back" class="q-my-sm btn-style" v-on:click="imgMinusTCompLeft=true"
:disable="is_processing"></q-btn>
<q-btn icon="arrow_forward" class="q-my-sm on-right btn-style" v-on:click="imgPlusTCompLeft=true"
:disable="is_processing"></q-btn>
</div>
<!-- Triq Image manager -->
<div id="image-container-compare-left-triq" class="row st-col col-12">
<div class="col-10 q-pa-none q-ma-none ">
<plotly id="plotImgTCompareLeft" :data="plotdataImgTCompLeft" :layout="plotlayoutImgTCompLeft"
class="q-pa-none q-ma-none">
</plotly>
</div>
<div class="col-2">
<q-img id="colorbarTCompareLeft" class="q-ma-none q-pa-none" :src="colorbarTCompLeft"></q-img>
</div>
</div>