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fixed mz calc with n_term mod #134

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merged 2 commits into from
Aug 12, 2024
Merged

fixed mz calc with n_term mod #134

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690f490
fixed mz calc with n_term mod
picciama Aug 12, 2024
12584db
fixed typeguard
picciama Aug 12, 2024
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2 changes: 1 addition & 1 deletion spectrum_fundamentals/fragments.py
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Original file line number Diff line number Diff line change
Expand Up @@ -181,7 +181,7 @@ def initialize_peaks(

if modification_deltas: # there were modifictions
sequence = internal_without_mods([sequence])[0]
n_term_delta = modification_deltas.get(-2, 0.0)
n_term_delta = modification_deltas.pop(-2, 0.0) # directly pop it to avoid readding it later
if n_term_delta != 0:
n_term_mod = 2
# add n_term mass to first aa for easy processing in the following calculation
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