File: OptimizePeakDeconvolution.ini

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<?xml version="1.0" encoding="ISO-8859-1"?>
<PARAMETERS>
	<NODE name="wavelet_transform">
		<ITEM name="scale" value="0.1" type="float" />
	</NODE>

	<NODE name="thresholds">
		<ITEM name="peak_bound" value="1000" type="float" /> 
		<ITEM name="peak_bound_ms2_level" value="500" type="float" />
		<ITEM name="noise_level" value="10" type="float" />
		<ITEM name="correlation" value="0.0" type="float" />
		<ITEM name="search_radius" value="1" type="float" />
		<ITEM name="signal_to_noise" value="5" type="float"/>
		<ITEM name="fwhm_bound" value="0.05" type="float"/>
	</NODE>
	
	<NODE name="Optimization">
		<ITEM name="skip_optimization" value="yes" type="string" />
		<ITEM name="iterations" value="30" type="int" />
		<ITEM name="delta_abs_error" value="0.00001" type="float" />
		<ITEM name="delta_rel_error" value="0.00001" type="float" /> 
		<NODE name="penalties">
			<ITEM name="position" value="10" type="float" />
			<ITEM name="left_width" value="1" type="float" />
			<ITEM name="right_width" value="1" type="float" />
		</NODE>
	</NODE>
		
	<NODE name="deconvolution">
		<ITEM name="asym_threshold" value="0.3" type="float" />
		<ITEM name="left_width" value="2" type="float" />
		<ITEM name="right_width" value="2" type="float" />
		<ITEM name="scaling" value="0.12" type="float" />
		<ITEM name="skip_deconvolution" value="no" type="string" />
		<NODE name="fitting">
			<ITEM name="max_iteration" value="20" type="int" />
			<ITEM name="eps_abs" value="0.00000001" type="float" />
			<ITEM name="eps_rel" value="0.00000001" type="float" />
			<ITEM name="fwhm_threshold" value="0.7" type="float" />
			<NODE name="penalties">
				<ITEM name="height" value="1" type="float" />
				<ITEM name="left_width" value="10" type="float" />
				<ITEM name="right_width" value="10" type="float" />
				<ITEM name="position" value="1" type="float" />
			</NODE>
		</NODE>
	</NODE>
		
	<NODE name="2D_optimization">
		<ITEM name="skip_optimization" value="yes" type="string" />
		<ITEM name="iterations" value="20" type="int" />
		<ITEM name="delta_abs_error" value="0.00000001" type="float" />
		<ITEM name="delta_rel_error" value="0.00000001" type="float" />
		<NODE name="penalties">
			<ITEM name="height" value="1" type="float" />
			<ITEM name="left_width" value="0" type="float" />
			<ITEM name="right_width" value="0" type="float" />
			<ITEM name="position" value="10" type="float" />
		</NODE>
		<NODE name="thresholds">
			<ITEM name="tolerance_mz" value="0.2" type="float" />
			<ITEM name="region_distance" value="1" type="float" />
		</NODE>
	</NODE>
</PARAMETERS>