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304-fitparameter #305

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dominik merged 4 commits from 304-fitparameter into master 2025-01-23 18:11:45 +00:00
Conversation 0 Commits 4 Files Changed 4 +3 -3
2 changed files with 3 additions and 3 deletions
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src/nmreval/models/diffusion.py
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@ -116,7 +116,7 @@ class Peschier:
name = 'Diffusion + Cross-Relaxation'
type = 'Diffusion'
equation = r'Diffusion with cross-relax f(ast) \rightarrow s(low)'
params = ['M_{0}', 'D', 'T_{1,f}', 'T_{1,s}', 'k', 'p_{f}', 't_{ev}', 'g']
params = ['M_{0}', 'D', 'T_{1f}', 'T_{1s}', 'k', 'p_{f}', 't_{ev}', 'g']
bounds = [(0, None), (0, None), (0, None), (0, None), (0, None), (0, None)]
choices = [(r'\gamma', 'nucleus', gamma)]

4
src/nmreval/models/relaxation.py
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@ -75,7 +75,7 @@ class TwoSatRecAbsolute:
type = 'Relaxation'
name = 'Two-step relaxation (abs. int)'
equation = r'M_{0} + \Sigma \DeltaM_{i}(1-exp(-(x/T_{1,i})^{\beta_{i}}))'
params = [r'\DeltaM_{1}', 'T_{1,1}', r'\beta_{1}', r'\DeltaM_{2}', 'T_{1,2}', r'\beta_{2}', 'M_{0}']
params = [r'\DeltaM_{1}', 'T_{11}', r'\beta_{1}', r'\DeltaM_{2}', 'T_{12}', r'\beta_{2}', 'M_{0}']
choices = [('Type', 'is_inv', {'Saturation': False, 'Inversion': True})]
bounds = [(0, None), (0, None), (0, 1), (0, None), (0, None), (0, 1), (None, None)]
@ -92,7 +92,7 @@ class TwoSatRecRelative:
name = 'Two-step relaxation (rel. int)'
equation = r'M_{0} + \DeltaM[R(1-exp(-(x/T_{1,1})^{\beta_{1}})) + \n'\
r'(1-R)(1-exp(-(x/T_{1,2})^{\beta_{2}}))]'
params = [r'\DeltaM', 'M_{0}', 'T_{1,1}', r'\beta_{1}', 'T_{1,2}', r'\beta_{2}', 'R']
params = [r'\DeltaM', 'M_{0}', 'T_{11}', r'\beta_{1}', 'T_{12}', r'\beta_{2}', 'R']
choices = [('Type', 'kind', {'Saturation': 'sat', 'Inversion': 'inv'})]
bounds = [(0, None), (None, None), (0, None), (0, 1), (0, None), (0, 1), (0, 1)]