diff --git a/src/io/readers/spectrum_reader/minitdf.rs b/src/io/readers/spectrum_reader/minitdf.rs index 937f7b5..84a6f4a 100644 --- a/src/io/readers/spectrum_reader/minitdf.rs +++ b/src/io/readers/spectrum_reader/minitdf.rs @@ -78,8 +78,14 @@ impl SpectrumReaderTrait for MiniTDFSpectrumReader { spectrum.precursor = precursor; spectrum.index = precursor.index; spectrum.collision_energy = self.collision_energies[index]; - spectrum.isolation_mz = 0.0; //TODO - spectrum.isolation_width = 0.0; //TODO + spectrum.isolation_mz = precursor.mz; //FIX? + spectrum.isolation_width = if precursor.mz <= 700.0 { + 2.0 + } else if precursor.mz >= 800.0 { + 3.0 + } else { + 2.0 + (precursor.mz - 700.0) / 100.0 + }; //FIX? spectrum }