Mercurial > repos > muon-spectroscopy-computational-project > larch_artemis
diff test-data/fit_report.txt @ 3:2ceaa943a2ad draft
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_artemis commit 3fe6078868efd0fcea0fb5eea8dcd4b152d9c0a8
author | muon-spectroscopy-computational-project |
---|---|
date | Thu, 11 Apr 2024 09:01:48 +0000 |
parents | f802cd616862 |
children | 7acb53ffb96f |
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--- a/test-data/fit_report.txt Mon Mar 04 11:43:09 2024 +0000 +++ b/test-data/fit_report.txt Thu Apr 11 09:01:48 2024 +0000 @@ -1,50 +1,53 @@ =================== FEFFIT RESULTS ==================== \[\[Statistics\]\] - nvarys, npts = 6, 104 - n_independent = 12\.205 - chi_square = [\d\.]{9} - reduced chi_square = [\d\.]{9} - r-factor = [\d\.]{9} - Akaike info crit = [\d\.]{9} - Bayesian info crit = [\d\.]{9} - -\[\[Data\]\] - fit space = 'r' - r-range = 1\.400, 3\.000 - k-range = 3\.000, 14\.000 - k window, dk = 'hanning', 1\.000 - paths used in fit = \['feff/feff0001\.dat', 'feff/feff0002\.dat', 'feff/feff0003\.dat', 'feff/feff0004\.dat'\] - k-weight = 2 - epsilon_k = Array\(mean=5\.1913e-4, std=4\.5676e-4\) - epsilon_r = [\d\.]{9} - n_independent = 12\.205 + n_function_calls = 4\d\d + n_variables = 6 + n_data_points = 104 + n_independent = 12\.2045080 + chi_square = [\d\.]{10} + reduced chi_square = [\d\.]{10} + r-factor = [\d\.]{10} + Akaike info crit = [\d\.]{10} + Bayesian info crit = [\d\.]{10} \[\[Variables\]\] - alpha = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 1\.0000e-7\) - amp = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 1\.0000000\) - enot = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 1\.0000e-7\) - ss = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 0\.0030000\) - ss2 = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 0\.0030000\) - ss3 = [-\s][\d\.]{9} \+/- [\d\.]{9} = 'ss2' - ssfe = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 0\.0030000\) + alpha = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 1\.0000e-7\) + amp = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 1\.0000000\) + enot = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 1\.0000e-7\) + ss = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 0\.0030000\) + ss2 = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 0\.0030000\) + ss3 = [-\s][\d\.]{9} \+/- [\d\.]{9} = 'ss2' + ssfe = [-\s][\d\.]{9} \+/- [\d\.]{9} \(init= 0\.0030000\) -\[\[Correlations\]\] \(unreported correlations are < 0\.100\) - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} - \w+, \w+\s+= [\s\-]0\.\d{3} +\[\[Correlations\]\] \(unreported correlations are < 0\.100\) + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} + \w+, \w+\s+= [\s\-]0\.\d{3} +\[\[Dataset\]\] + unique_id = 'dm7xe57x' + fit space = 'r' + r-range = 1\.400, 3\.000 + k-range = 3\.000, 14\.000 + k window, dk = 'hanning', 1\.000 + paths used in fit = \['feff/feff0001\.dat', 'feff/feff0002\.dat', 'feff/feff0003\.dat', 'feff/feff0004\.dat'\] + k-weight = 2 + epsilon_k = Array\(mean=5\.1913e-4, std=4\.5676e-4\) + epsilon_r = [\d\.]{9} + n_independent = 12\.205 + \[\[Paths\]\] = Path 'S1' = Rh K Edge feffdat file = feff/feff0001\.dat, from feff run 'feff'