updated constants

python/proteolizardalgo/hardware_models.py

@@ -232,7 +232,7 @@ def __init__(self):
 
     def simulate(self, sample: ProteomicsExperimentSampleSlice, device: Chromatography) -> List[RTProfile]:
         mus = sample.peptides["simulated_irt_apex"].values
-        sigmas = gamma(a=4.929,scale=1/18.783).rvs(mus.size)/6
+        sigmas = gamma(a=4.929,scale=1/18.784).rvs(mus.size)/6
         profile_list = []
 
         for mu,σ in zip(mus,sigmas):

python/proteolizardalgo/isotopes.py

@@ -13,8 +13,8 @@
 
 from proteolizardalgo.noise import detection_noise
 
-MASS_PROTON = 1.007276466583
-MASS_NEUTRON = 1.008664916
+MASS_PROTON = 1.007276466621
+MASS_NEUTRON = 1.00866491595
 
 
 @numba.jit(nopython=True)