From a39cffc9fb3a53fcedf813654adfefc62253aff1 Mon Sep 17 00:00:00 2001
From: Danilo Ferreira de Lima <danilo.enoque.ferreira.de.lima@xfel.de>
Date: Mon, 2 Oct 2023 19:26:38 +0200
Subject: [PATCH] Fixed FWHM smoothing.
---
pes_to_spec/model.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/pes_to_spec/model.py b/pes_to_spec/model.py
index 3e88209..9c939d7 100644
--- a/pes_to_spec/model.py
+++ b/pes_to_spec/model.py
@@ -122,7 +122,7 @@ class HighResolutionSmoother(TransformerMixin, BaseEstimator):
# get the centre value of the energy axis
mu = energy[:, n_features//2, np.newaxis]
# generate a gaussian
- std = self.high_res_sigma*2.355
+ std = self.high_res_sigma/2.355
gaussian = np.exp(-0.5*(energy - mu)**2/std**2)
gaussian /= np.sum(gaussian, axis=1, keepdims=True)
# apply it to the data
@@ -910,7 +910,7 @@ class Model(TransformerMixin, BaseEstimator):
self.auto_corr = np.real(self.auto_corr)
self.auto_corr /= np.amax(self.auto_corr)
try:
- self.resulution = get_resolution(e_axis, self.auto_corr)
+ self.resulution = get_resolution(e_axis - np.mean(e_axis), self.auto_corr)
finally:
self.resolution = -1.0
#print("Resolution:", self.resolution)
--
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