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ignore nan energies
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src/RcppPwiz.cpp

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -788,13 +788,13 @@ void RcppPwiz::addSpectrumList(MSData& msd,
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// precursor scan is not available (e.g. after MS level filtering).
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spct.precursors.resize(1);
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Precursor& prec = spct.precursors.front();
791-
if (collisionEnergy[i] != 0) {
791+
if (!std::isnan(collisionEnergy[i]) && collisionEnergy[i] != 0) {
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prec.activation.set(MS_collision_induced_dissociation);
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prec.activation.set(MS_collision_energy, collisionEnergy[i],
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UO_electronvolt);
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}
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// EAD
797-
if (electronBeamEnergy[i] != 0) {
797+
if (!std::isnan(electronBeamEnergy[i]) && electronBeamEnergy[i] != 0) {
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prec.activation.set(MS_electron_activated_dissociation);
799799
prec.activation.set(MS_electron_beam_energy, electronBeamEnergy[i],
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UO_electronvolt);

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