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Calibration Method
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Input file Very raw data from the machine. (external calibrated).
Text files. The data have common mass across spectra
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Basic Assumption Linear offset on the time domain across different spectra.
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Procedure 1. Choose standard known features by heatmap.
2. Build Gaussian function (parameters selection). 3. Transfer the known features’ m/z values to time t values. 4. Maximize the convolution function’s value by simultaneously linear shifting. 5. Interpolation back the original scale.
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Potential Advantages 1. Batch mode. 2. Multiple feature calibration.
3. Heatmaps offers cross spectra known feature selection. 4. Region v.s. Single points. 5. Common mass as results.
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