MSpectraAI
Calculating......
Welcome
Import Data
Mass Spectra Information
SWATH Extraction
All Data Integration
Deep Learning Model
Model Results
Import Raw Data
1. Peaks data:
File format:
.mzXML
.mzML
Import your data：
Browse...
2. Samples information data:
File format:
.xlsx
.xls
.csv/txt
Import your data：
Browse...
Header？
First column？
Sheet index:
Sheet index:
Separator：
Comma
Semicolon
Tab
BlankSpace
Calculate
1. Raw files：
Download
2. Samples information data：
Histograms parameter
breaks：
MS
MSMS
Spectra Number
Calculate
Change figure size？
figure height：
Download
Calculate
Change figure size？
figure height：
Download
Calculate
Download
Window Size：
MS Scope：
MS number filter:
MSMS Scope：
MSMS number filter:
MS 2D Map
MS Intensity Density
MSMS 2D Map
MSMS Intensity Density
Calculate
Map
Data
Change figure size？
figure height：
Download
Download
Calculate
Retention Time Index:
M/Z Window Index:
Change figure size？
figure height：
Download
Calculate
Map
Data
Change figure size？
figure height：
Download
Download
Calculate
Retention Time Index:
M/Z Window Index:
Change figure size？
figure height：
Download
Please Attention: This step is a little time-consuming, please be patient and take a cup of coffee or tea~~^_^
MS Data
MSMS Data
Calculate
Download
Data Preview:
Calculate
Download
Data Preview:
Type your Deep Learning Model:
keras_model_sequential() %>% layer_dense( units = 128, kernel_initializer = 'uniform', activation = 'relu', input_shape = 400) %>% layer_dropout(rate = 0.2) %>% layer_dense( units = 64, kernel_initializer = 'uniform', activation = 'relu') %>% layer_dropout(rate = 0.2) %>% layer_dense( units = 3, kernel_initializer = 'uniform', activation = 'softmax') %>% compile( optimizer = 'rmsprop', loss = 'categorical_crossentropy', metrics = c('accuracy') )
Model Summary
Calculate
Results type:
MS
MSMS
epochs:
batch size:
Confusion Matrix
Heatmap
ROC Curve
F1 Score
Calculate
1. Matrix:
Download
2. Accuracy Rate:
Calculate
Change figure size？
figure height：
Download
Calculate
Two Class labels:
Change figure size？
figure height：
Download
Calculate
Download
