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AimsInput.m
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AimsInput.m
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% Naming conventions
% https://visualgit.readthedocs.io/en/latest/pages/naming_convention.html
% Make a class for the data or from PredictGCDMS send the data to this
% class. This class is specifically for Predict GCDMS. Can rename all the
% data here. Constructor can rename the classes. This will help reduce the
% number of variables in workspace and make it clear what variable is used
% for what. Possibly make another class that inherits from this class to.
% PredictGCDMS will create an object of this class. and will make it easier
% to read what is what.
% Access set both setAccess and getAccess
% SetAccess relates only to changing the variable with . operator outside
% of class
% Get Access relates only to scope of getting the variables with . operator
% outside of class
classdef AimsInput
% Create instance variable and makes them private so that other
% function cannot access and modify them. Only memeber functions can
% access.
% Later change to Access. SetAccess here so I can view what object has
% in other methods
properties (SetAccess = private)
sample_names = {};
sample_labels = {};
compensation_voltage = {};
retention_time = {};
intensity = {};
watershed_label = {};
sel_sample_index = 1;
bw_intensity = {};
watershed_index = {};
watershed_crvi = {};
peak_table = {};
level_label = {};
level_index = {};
cv_stats = [];
rt_stats = [];
cv_tol;
rt_tol;
orig_cv;
orig_rt;
orig_int;
end
% private methods are methods that can only be used in the class. When
% manipulating the variables it's best to have private methods
methods
% Constructor must return object of class. Can change name of obj
% parameter - (cell,cell,cell,cell)
function obj = AimsInput(sample_names,...
compensation_voltage,...
retention_time,...
intensity)
obj.sample_names = sample_names;
obj.compensation_voltage = compensation_voltage;
obj.retention_time = retention_time;
obj.intensity = intensity;
%obj.watershed_label = cell(numel(sample_names),1);
obj.bw_intensity = cell(numel(sample_names),1);
end
function obj = copy_cv_rt_int(obj)
obj.orig_cv = obj.compensation_voltage;
obj.orig_rt = obj.retention_time;
obj.orig_int = obj.intensity;
end
function obj = RemoveRip(obj,lower_cv, upper_cv,lower_rt,upper_rt)
all_cv = obj.orig_cv;
all_rt = obj.orig_rt;
cv = obj.orig_cv{obj.sel_sample_index,1};
rt = obj.orig_rt{obj.sel_sample_index,1};
assignin('base', 'original_intensity_Var', obj.orig_int);
all_intensity = obj.orig_int;
assignin('base', 'all_intensity_Var_initialize', all_intensity);
log_lower_cv = cv < lower_cv;
log_upper_cv = cv > upper_cv;
both_cv = log_lower_cv | log_upper_cv;
both_cv = ~both_cv;
% iterate through all cv and remove values
for i=1:size(all_cv,1)
tempCV = all_cv{i,1};
new_cv = tempCV(both_cv);
all_cv{i,1} = new_cv;
end
log_lower_rt = rt < lower_rt;
log_upper_rt = rt > upper_rt
both_rt = log_lower_rt | log_upper_rt;
both_rt = ~both_rt;
% iterate through all cv and remove values
for i=1:size(all_rt,1)
tempRT = all_rt{i,1};
new_rt = tempRT(both_rt);
all_rt{i,1} = new_rt;
end
min_cv_index = nnz(log_lower_cv);
max_cv_index = size(cv,1) - nnz(log_upper_cv);
assignin('base', 'log_upper_cv', log_upper_cv);
assignin('base', 'log_upper_cv_nnz', nnz(log_upper_cv));
min_rt_index = nnz(log_lower_rt);
max_rt_index = size(rt,1) - nnz(log_upper_rt);
assignin('base', 'all_intensity_Var', all_intensity);
assignin('base', 'min_rt_index', min_rt_index);
assignin('base', 'max_rt_index', max_rt_index);
assignin('base', 'max_cv_index', max_cv_index);
assignin('base', 'min_cv_index', min_cv_index);
% iterate through all intensities
for i=1:size(all_intensity,1)
tempIntensity = all_intensity{i,1};
assignin('base', 'temp_intensity_Var', tempIntensity);
new_intensity = tempIntensity(min_rt_index:max_rt_index-1,min_cv_index:max_cv_index-1);
all_intensity{i,1} = new_intensity;
end
obj.retention_time = all_rt;
obj.compensation_voltage = all_cv;
obj.intensity = all_intensity;
assignin('base', 'intensity_rip_removal', obj.intensity);
end
% Mutator Methods used to recompute any imaging
function obj = compute_all_watershed(obj,level)
% need to compute watershed for all samples
% Start moving in code from the script and then use private
% methods to chunk out big concepts in the script
% This iterates through all samples
num_sample = numel(obj.sample_names);
peak_tables = cell(num_sample,1);
for i=1:num_sample
% celldata only used for noise
obj = obj.compute_one_watershed(i,level);
%{
pk_table = obj.compute_one_watershed(i);
peak_tables{i,1} = pk_table;
%}
end
end
% This function is used to compute all peak statistics for all
% samples.
% Uses watershed_index to compute all statistics
function obj = compute_peak_statistics(obj)
obj.watershed_crvi = {};
for sample_num=1:(size(obj.sample_names,1))
% Go through every peak and compute peak_vol
% temp_intensity = obj.watershed_intensity{i};
num_of_peaks = size(obj.watershed_index{sample_num},1);
for peak_num=1:(num_of_peaks)
index_list = cell2mat(obj.watershed_index{sample_num}(peak_num,1));
[max_cv,max_rt,max_intensity] = obj.compute_max_cv_rt_intensity(sample_num,index_list);
obj.watershed_crvi{sample_num,1}(peak_num,1) = max_cv;
obj.watershed_crvi{sample_num,1}(peak_num,2) = max_rt;
obj.watershed_crvi{sample_num,1}(peak_num,3) = obj.compute_volume(sample_num,index_list);
obj.watershed_crvi{sample_num,1}(peak_num,4) = max_intensity;
end
end
end
% This function is used to filter out peaks that are within a
% certain standard deviation
function obj = filter_std_peak(obj,lower_cv,upper_cv,lower_rt,upper_rt,sd)
% Compute noise value
noise_index = obj.compute_index_list(lower_cv,upper_cv,lower_rt,upper_rt);
noise = obj.intensity{obj.sel_sample_index}(noise_index);
noise(noise<0) = 0;
noise_sd = std(noise);
if (sd > 0)
noise_sd = noise_sd * sd;
end
% Go through every sample and apply standard deviation to all
% peaks
for i=1:(size(obj.sample_names,1))
% volume is in third column
%peak_intensities = obj.watershed_crvi{i}(:,4);
peak_intensities = obj.watershed_crvi{i}(:,3);
peak_num = (1:1:size(peak_intensities,1))';
peak_num_intensities = [peak_num,peak_intensities];
filter_peak_num = obj.ret_noise_peak(peak_num_intensities,noise_sd)';
if (size(filter_peak_num,1))
[watershed_label,watershed_index] = obj.filter_watershed_label_index(obj.watershed_label{i},obj.watershed_index{i},filter_peak_num);
obj.watershed_label{i} = watershed_label;
obj.watershed_index{i} = watershed_index;
end
end
end
function obj = generate_peak_table(obj,s1_index,s2_index,cv_tolerance,rt_tolerance)
% Split samples into healthy and unhealthy
% Then choose a sample that will be representative of the
% sample
% For every sample store the cv and rt ranges
% For reference choose the one with the most amount of peaks
%s1_index = 1;
%s2_index = 2;
%cv_tolerance = 1; % 1
%rt_tolerance = 10; % 10
obj.cv_tol = cv_tolerance;
obj.rt_tol = rt_tolerance;
sample_labels = obj.sample_labels;
watershed_crvi = obj.watershed_crvi;
unique_labels = string(unique(sample_labels));
s1 = watershed_crvi{s1_index}(:,1:2);
peak_num = (1:1:size(s1,1))';
s1 = [peak_num,s1];
s2 = watershed_crvi{s2_index}(:,1:2);
peak_num = (1:1:size(s2,1))';
s2 = [peak_num,s2];
s1_s2_overlap = [];
for i=1:size(s1,1)
curr_s1 = s1(i,:);
s2_overlap = obj.ret_overlap(curr_s1,s2,cv_tolerance,rt_tolerance);
if (size(s2_overlap,1) == 0)
continue;
end
% if there are multiple peaks that overlap then we choose
% the one that has the closest euclidean distance
if(size(s2_overlap,1)>1)
% Compute euclidean distance across all overlap
euclidean_dist = ((curr_s1(1,2)-s2(s2_overlap,2)).^2 + (curr_s1(1,3)-s2(s2_overlap,3)).^2).^(1/2);
[min_val,min_index] = min(euclidean_dist);
s2_overlap = s2_overlap(min_index);
end
add_overlap = [i,s2_overlap];
s1_s2_overlap = [s1_s2_overlap;add_overlap];
end
% use s1_s2_overlap and if any duplicate in the second column
% then remove them from s1_s2_overlap. Those will form their
% own column.
% For the non-overlap just use the peak cv and rt as the
% For over-lap take the average of the peak cv and rt. should
% be used.
if ~isempty(s1_s2_overlap)
[~,unique_index,~] = unique(s1_s2_overlap(:,2));
dup_index = setdiff((1:size(s1_s2_overlap, 1))', unique_index);
dup_val = s1_s2_overlap(dup_index,:);
% may have multiple duplicate values
dup_val = unique(dup_val(:,2));
non_overlap_filter = ~ismember(s1_s2_overlap(:,2),dup_val);
s1_s2_overlap = s1_s2_overlap(non_overlap_filter,:);
end
% Construct the peak table. The columns needs to store the max
% cv/rt coordinates. For the overlap take th average between
% both peaks.
peak_table_cv_rt = [];
for i=1:size(s1_s2_overlap,1)
cv_rt = [s1(s1_s2_overlap(i,1),2:3);s2(s1_s2_overlap(i,2),2:3)];
peak_avg_cv_rt = mean(cv_rt);
peak_table_cv_rt = [peak_table_cv_rt;peak_avg_cv_rt];
end
if ~isempty(s1_s2_overlap)
s1_non_overlap_index = ~ismember(s1(:,1),s1_s2_overlap(:,1));
else
s1_non_overlap_index = s1(:,1);
end
s1_cv_rt = s1(s1_non_overlap_index,2:3);
peak_table_cv_rt = [peak_table_cv_rt;s1_cv_rt];
if ~isempty(s1_s2_overlap)
s2_non_overlap_index = ~ismember(s2(:,1),s1_s2_overlap(:,2));
else
s2_non_overlap_index = s2(:,1);
end
s2_cv_rt = s2(s2_non_overlap_index,2:3);
peak_table_cv_rt = [peak_table_cv_rt;s2_cv_rt];
% go through all samples and see is the peak exists. If it does
% then log it into peak table
num_samples = size(obj.sample_names,1);
num_peaks = size(peak_table_cv_rt,1);
peak_table = zeros(num_samples,num_peaks);
peaks_to_add = [];
old_peak_table_size = size(peak_table,1);
temp = [];
cv_locations = cell(1,num_peaks);
rt_locations = cell(1,num_peaks);
for sample = 1:num_samples
curr_peak_crvi = obj.watershed_crvi{sample};
curr_peak_crv = curr_peak_crvi(:,1:3);
% used to remove peaks detected to add ones that have not
% been seen
crv_to_add = curr_peak_crvi(:,1:3);
% initialize logical
crv_to_add_index = logical(zeros(size(crv_to_add,1),1));
low_up_cv = [(peak_table_cv_rt(:,1) - cv_tolerance),(peak_table_cv_rt(:,1) + cv_tolerance)];
low_up_rt = [(peak_table_cv_rt(:,2) - rt_tolerance),(peak_table_cv_rt(:,2) + rt_tolerance)];
for peak = 1:num_peaks
temp_peak_crv = curr_peak_crv(curr_peak_crv(:,1) >= low_up_cv(peak,1),:);
temp_peak_crv = temp_peak_crv(temp_peak_crv(:,1) <= low_up_cv(peak,2),:);
temp_peak_crv = temp_peak_crv(temp_peak_crv(:,2) >= low_up_rt(peak,1),:);
temp_peak_crv = temp_peak_crv(temp_peak_crv(:,2) <= low_up_rt(peak,2),:);
num_peak_sat = size(temp_peak_crv,1);
logical_peak_detected = (curr_peak_crv(:,1) >= low_up_cv(peak,1)) & (curr_peak_crv(:,1) <= low_up_cv(peak,2)) & (curr_peak_crv(:,2) >= low_up_rt(peak,1)) & (curr_peak_crv(:,2) <= low_up_rt(peak,2));
crv_to_add_index = crv_to_add_index | logical_peak_detected;
% = obj.removePeaksDetected;
if (num_peak_sat == 0)
continue;
end
if (num_peak_sat > 1)
% filter out peaks and choose the one that is
% closest
euclidean_dist = ((peak_table_cv_rt(peak,1)-temp_peak_crv(:,1)).^2 + (peak_table_cv_rt(peak,2)-temp_peak_crv(:,2)).^2).^(1/2);
[min_val,min_index] = min(euclidean_dist);
temp_peak_crv = temp_peak_crv(min_index,:);
end
peak_table(sample,peak) = temp_peak_crv(1,3); % append if there's only one peak that satisfies
cv_locations{1,peak} = [cv_locations{1,peak},temp_peak_crv(1,1)];
rt_locations{1,peak} = [rt_locations{1,peak},temp_peak_crv(1,2)];
% remove all peaks that were detected in curr_sample
end
% Add anything to peak table if necessary and then start
% with end of table and iterate again
crv_to_add = crv_to_add(~crv_to_add_index,:);
samplenums = repmat(sample,size(crv_to_add,1),1);
tempr = [crv_to_add,samplenums];
temp = [temp;tempr];
peaks_to_add = [peaks_to_add;crv_to_add];
%{
if(size(crv_to_add,1) > 0)
temp = [temp;sample];
end
%}
end
%peak_table = [peak_table;peaks_to_add_to_peak_table];
num_peaks = size(peak_table,2)+size(peaks_to_add,1);
num_peaks_to_add = size(peaks_to_add,1);
new_peak_table = zeros(num_samples,num_peaks_to_add);
old_num_peaks_col = size(peak_table,2);
peak_table = [peak_table,new_peak_table];
peak_table_cv_rt = [peak_table_cv_rt;peaks_to_add(:,1:2)];
blank_cols = cell(1,num_peaks_to_add);
cv_locations = [cv_locations,blank_cols];
rt_locations = [rt_locations,blank_cols];
for sample = 1:num_samples
curr_peak_crvi = obj.watershed_crvi{sample};
curr_peak_crv = curr_peak_crvi(:,1:3);
low_up_cv = [(peak_table_cv_rt(:,1) - cv_tolerance),(peak_table_cv_rt(:,1) + cv_tolerance)];
low_up_rt = [(peak_table_cv_rt(:,2) - rt_tolerance),(peak_table_cv_rt(:,2) + rt_tolerance)];
for peak = old_num_peaks_col+1:num_peaks
temp_peak_crv = curr_peak_crv(curr_peak_crv(:,1) >= low_up_cv(peak,1),:);
temp_peak_crv = temp_peak_crv(temp_peak_crv(:,1) <= low_up_cv(peak,2),:);
temp_peak_crv = temp_peak_crv(temp_peak_crv(:,2) >= low_up_rt(peak,1),:);
temp_peak_crv = temp_peak_crv(temp_peak_crv(:,2) <= low_up_rt(peak,2),:);
num_peak_sat = size(temp_peak_crv,1);
if (num_peak_sat == 0)
continue;
end
if (num_peak_sat > 1)
% filter out peaks and choose the one that is
% closest
euclidean_dist = ((peak_table_cv_rt(peak,1)-temp_peak_crv(:,1)).^2 + (peak_table_cv_rt(peak,2)-temp_peak_crv(:,2)).^2).^(1/2);
[min_val,min_index] = min(euclidean_dist);
temp_peak_crv = temp_peak_crv(min_index,:);
end
peak_table(sample,peak) = temp_peak_crv(1,3);
cv_locations{1,peak} = [cv_locations{1,peak},temp_peak_crv(1,1)];
rt_locations{1,peak} = [rt_locations{1,peak},temp_peak_crv(1,2)];
% remove all peaks that were detected in curr_sample
end
end
obj.peak_table = peak_table;
% iterate thorugh cv_locations and get mean and std
num_peaks = size(cv_locations,2);
cv_stats = zeros(size(2,num_peaks));
rt_stats = zeros(size(2,num_peaks));
for i=1:num_peaks
cv_stats(1,i) = mean(cv_locations{1,i});
cv_stats(2,i) = std(cv_locations{1,i},1,2);
end
for i=1:num_peaks
rt_stats(1,i) = mean(rt_locations{1,i});
rt_stats(2,i) = std(rt_locations{1,i},1,2);
end
obj.cv_stats = cv_stats;
obj.rt_stats = rt_stats;
end
function obj = generate_test_set_peak_table(obj,cv_loc,rt_loc,cv_tolerance,rt_tolerance)
%cv_tolerance = obj.cv_tol;
%rt_tolerance = obj.rt_tol;
num_samples = size(obj.sample_names,1);
num_peaks = size(cv_loc,2);
peak_table = zeros(num_samples,num_peaks);
%temp = [];
%cv_locations = cell(1,num_peaks);
%rt_locations = cell(1,num_peaks);
for sample = 1:num_samples
curr_peak_crvi = obj.watershed_crvi{sample};
curr_peak_crv = curr_peak_crvi(:,1:3);
for peak = 1:num_peaks
low_up_cv = [(cv_loc(peak) - cv_tolerance),(cv_loc(peak) + cv_tolerance)];
low_up_rt = [(rt_loc(peak) - rt_tolerance),(rt_loc(peak) + rt_tolerance)];
temp_peak_crv = curr_peak_crv(curr_peak_crv(:,1) >= low_up_cv(1,1),:);
temp_peak_crv = temp_peak_crv(temp_peak_crv(:,1) <= low_up_cv(1,2),:);
temp_peak_crv = temp_peak_crv(temp_peak_crv(:,2) >= low_up_rt(1,1),:);
temp_peak_crv = temp_peak_crv(temp_peak_crv(:,2) <= low_up_rt(1,2),:);
num_peak_sat = size(temp_peak_crv,1);
if (num_peak_sat == 0)
continue;
end
if (num_peak_sat > 1)
% filter out peaks and choose the one that is
% closest
euclidean_dist = ((cv_loc(peak)-temp_peak_crv(:,1)).^2 + (rt_loc(peak)-temp_peak_crv(:,2)).^2).^(1/2);
[min_val,min_index] = min(euclidean_dist);
temp_peak_crv = temp_peak_crv(min_index,:);
end
peak_table(sample,peak) = temp_peak_crv(1,3);
%cv_locations{1,peak} = [cv_locations{1,peak},temp_peak_crv(1,1)];
%rt_locations{1,peak} = [rt_locations{1,peak},temp_peak_crv(1,2)];
% remove all peaks that were detected in curr_sample
end
end
obj.peak_table = peak_table;
end
% Access Methods to retrieve instance variables the type of data return is
% on leftside of equal sign
function obj = set_bw_intensity(obj,index,bw_intensity)
%bw_intensity = imcomplement(bw_intensity);
obj.bw_intensity{index} = int8(bw_intensity);
end
function obj = set_sel_sample_index(obj,index)
obj.sel_sample_index = index;
end
function obj = set_sample_labels(obj,new_labels)
obj.sample_labels = new_labels;
end
function cell = get_sample_names(obj)
cell = obj.sample_names;
end
function mat_double = get_cv(obj,index)
mat_double = obj.compensation_voltage{index};
end
function mat_double = get_rt(obj,index)
mat_double = obj.retention_time{index};
end
function mat_double = get_intensity(obj,index)
mat_double = obj.intensity{index};
end
function mat_double = get_watershed_intensity(obj,index)
mat_double = obj.watershed_label{index};
end
function int = get_sel_sample_index(obj)
int = obj.sel_sample_index;
end
function mat_double = get_bw_intensity(obj,index)
mat_double = obj.bw_intensity{index};
end
function mat_double = get_watershed_label(obj,index)
mat_double = obj.watershed_label{index};
end
function mat_double = get_peak_table(obj)
mat_double = obj.peak_table;
end
function mat_double = get_level_label(obj,index)
mat_double = obj.level_label{index};
end
function mat_double = get_cv_stats(obj)
mat_double = obj.cv_stats;
end
function mat_double = get_rt_stats(obj)
mat_double = obj.rt_stats;
end
end
% private mutator methods
methods (Access = private)
% computes watershed on one sample
% parameters - (double,double,double)
function obj = compute_one_watershed(obj,index,level)
cv = obj.compensation_voltage{index};
rt = obj.retention_time{index};
intensity = obj.intensity{index};
%disk_radius = [100 10]; %Original: disk_radius=12;
disk_radius=100;
calc_intensity = intensity;
% Sets all negative inensity to zero
calc_intensity(calc_intensity <= 0) = 0;
% Turn intensity to grayscale image
max_intensity = max(max(calc_intensity));
calc_intensity = mat2gray(calc_intensity,[0,max_intensity]);
calc_intensity = obj.top_hat_filter(calc_intensity,disk_radius);
[bin_calc_intensity, bw_intensity] = obj.binarize(calc_intensity,level);
% save binarized data for graphing
obj = obj.set_bw_intensity(index,bw_intensity);
watershed_label = obj.alg_watershed(bin_calc_intensity);
[watershed_label,watershed_index] = obj.filter_background(index,watershed_label);
% save watershed intensity
obj.watershed_label{index,1} = watershed_label; % will be used for nosie red
obj.watershed_index{index,1} = watershed_index;
obj.level_label{index,1} = watershed_label; % will be used for nosie red
obj.level_index{index,1} = watershed_index;
end
% Other shapes of structuring element
% https://www.mathworks.com/help/images/ref/strel.html
function mat_double_filtered = top_hat_filter(obj,intensity,disk_radius)
%se = strel('disk',disk_radius);
%%%%%%edited
if length(disk_radius)==2
se=strel('rectangle',disk_radius);
else
se = strel('disk',disk_radius);
end
%%%%%%%
intensity_filtered = imtophat(intensity,se);
mat_double_filtered = intensity_filtered;
end
function [mat_double_binarized,bw_intensity] = binarize(obj,intensity,levels)
% improve the constrast of the image to help show the peaks
% more
adj_intensity = imadjust(intensity);
bin_intensity = im2bw(adj_intensity, levels);
bw_intensity = bin_intensity;
% Make bakcground -inf and peaks 1
log_background = ~bin_intensity;
bin_intensity = -bwdist(log_background);
bin_intensity(log_background) = -Inf;
mat_double_binarized = bin_intensity;
end
function mat_double_watershed = alg_watershed(obj,intensity)
mat_double_watershed = watershed(intensity);
end
% Watershed algorithm will sometimes make the background one giant
% peak. Sometimes it will separate the background into separate
% giant peaks
% In order to fix this, take the black and white intensity image
% before it goes into watershed.
% Take the balck and white intensity image background and overlap
% the backgroundo onto watershed image to bring back the background
% to watershed algoritm
function [watershed_label,watershed_index] = filter_background(obj,index,watershed_label)
% should use bwconnocomp to find the super large peaks that
% cannot be possible. Can also filter out peaks that are small
% background is 0 in bw_intensity so flip the 1 and 0s
% filter according to size
max_peak_size = 1000; %Original: max_peak_size = 100;
cc = bwconncomp(watershed_label)
% Gets index of all peaks
watershed_index = cc.PixelIdxList'
% Get size of all pixel size of all peaks
peak_size = cellfun('size',watershed_index,1);
% filter out peaks above certain range
filter_peak_num = find(peak_size > max_peak_size);
[watershed_label,watershed_index] = obj.filter_watershed_label_index(watershed_label,watershed_index,filter_peak_num);
% This code should be deleted but may be useful later
% Apply filter to watershed_label
% bool_filter = ismember(watershed_label,filter_peak_num);
% watershed_label(bool_filter) = 0;
% once you filter out max peaks need to reassign numbers to
% peaks because map doesn't match
end
function [watershed_label,watershed_index] = filter_watershed_label_index(~,watershed_label,watershed_index,filter_peak_num)
watershed_index(filter_peak_num) = [];
% once peak indexes are removed must repaint watershed and put
% the intensity labels back in
watershed_label = uint8(zeros(size(watershed_label)));
for i = 1:size(watershed_index,1)
watershed_label(watershed_index{i}) = i;
end
end
function mat_uint_list = compute_index_list(obj,l_cv,u_cv,l_rt,u_rt)
% Pull out the sample we need to get noise from
index = obj.sel_sample_index;
cv = obj.compensation_voltage{index};
rt = obj.retention_time{index};
bool_l_cv = cv<=l_cv;
bool_u_cv = cv>=u_cv;
bool_l_rt = rt<=l_rt;
bool_u_rt = rt>=u_rt;
l_cv_index = max(find(bool_l_cv));
u_cv_index = min(find(bool_u_cv));
l_rt_index = max(find(bool_l_rt));
u_rt_index = min(find(bool_u_rt));
bool_intensity = obj.intensity{index};
bool_intensity = zeros(size(bool_intensity));
bool_intensity(l_rt_index:u_rt_index,l_cv_index:u_cv_index) = 1;
mat_uint_list = uint32(find(bool_intensity));
end
function double_peak_vol = compute_volume(obj,index,index_list)
cv = obj.compensation_voltage{index};
rt = obj.retention_time{index};
temp_intensity = obj.intensity{index};
total_len = abs(abs(cv(2))-abs(cv(1)));
total_width = abs(abs(rt(2))-abs(rt(1)));
%{
% for debugging
for i=1:size(index_list,1)
if (index_list(i,1) >= 305000)
disp('a');
end
end
%}
heights = temp_intensity(index_list);
total_height = sum(sum(heights));
double_peak_vol = total_len * total_height * total_width;
end
function [double_max_cv,double_max_rt,double_max_intensity] = compute_max_cv_rt_intensity(obj,sample_num,index_list)
% if an error occurs in this function it could be due to too
% multiple indexes with max intensity. Code in something that
% will randomly choose a max index
temp_intensity = obj.intensity{sample_num};
[max_intensity,I] = max(temp_intensity(index_list));
max_index = index_list(I);
num_rows = size(temp_intensity,1);
num_cols = size(temp_intensity,2);
col = ceil(max_index./num_rows);
row = rem(max_index,num_rows);
% covers the edges cases
if ((col == 0) & (row == 0))
col = 1;
row = 1;
end
if (row ==0)
row = num_cols;
end
double_max_rt = obj.retention_time{sample_num}(row,1);
double_max_cv = obj.compensation_voltage{sample_num}(col,1);
double_max_intensity = max_intensity;
end
function list = ret_noise_peak(obj,peak_num_intensities,noise_sd)
% base case
if(size(peak_num_intensities,1) == 1)
if(peak_num_intensities(1,2) < noise_sd)
list = peak_num_intensities(1,1);
else
list = [];
end
return;
end
% recursive case
list = [obj.ret_noise_peak(peak_num_intensities(1:end-1,:),noise_sd),obj.ret_noise_peak(peak_num_intensities(end,:),noise_sd)];
return;
end
function list = ret_overlap(obj,s1,s2_list,cv_tol,rt_tol)
% Base case
if (size(s2_list,1) == 1);
lower_cv = s1(1,2)-cv_tol;
upper_cv = s1(1,2)+cv_tol;
lower_rt = s1(1,3)-rt_tol;
upper_rt = s1(1,3)+rt_tol;
cv = s2_list(1,2);
rt = s2_list(1,3);
if ((cv > lower_cv && cv < upper_cv) && (rt > lower_rt && rt < upper_rt))
list = s2_list(1,1);
else
list = [];
end
return;
end
% Recursive list
list = [obj.ret_overlap(s1,s2_list(1:end-1,:),cv_tol,rt_tol);obj.ret_overlap(s1,s2_list(end,:),cv_tol,rt_tol)];
return;
end
end
end
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