Calibration Method.

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Presentation transcript:

Calibration Method

Input file Very raw data from the machine. (external calibrated). Text files. The data have common mass across spectra

Basic Assumption Linear offset on the time domain across different spectra.

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.

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.