Added synthetic Gaussian data to test mantid fitting (fitbenchmarking…

…#1376)

Co-authored-by: RichardWaiteSTFC <[email protected]>
Co-authored-by: Jessica Huntley <[email protected]>

examples/benchmark_problems/synthetic_data/gaussian/A0_1.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'A0 (=1)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=7, Sigma=0.2 ; name=FlatBackground, A0=1'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/A0_2.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'A0 (=0.5)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=7, Sigma=0.2 ; name=FlatBackground, A0=0.5'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/A0_3.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'A0 (=-0.5)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=7, Sigma=0.2 ; name=FlatBackground, A0=-0.5'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/A0_4.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'A0 (=-1)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=7, Sigma=0.2 ; name=FlatBackground, A0=-1'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/META.txt

@@ -0,0 +1,4 @@
+Low_Stats_Gaussian
+
+This folder contains synthetic data created by Richard
+Waite to test the performance of Mantid minimzers.

examples/benchmark_problems/synthetic_data/gaussian/data_files/low_stats_gaussian.dat

@@ -0,0 +1,51 @@
+# X Y E
+5.0 2.624345493018806 1.0000000356907386
+5.1 0.3882438084061519 1.000000159954783
+5.2 0.47182923891709116 1.0000006734346176
+5.3 -0.07296615301682552 1.0000026634829304
+5.4 1.8654359855074918 1.0000098960038328
+5.5 -1.3015491108403983 1.0000345400216848
+5.6 2.74523586916358 1.000113247914371
+5.7 0.23922529576001483 1.0003487870597734
+5.8 1.3213798293210313 1.0010089158723858
+5.9 0.7554341153795181 1.0027401469644668
+6.0 2.4863305829354627 1.0069824199998996
+6.1 -1.0608653527274816 1.0166694963848
+6.2 0.7413498571772699 1.037186952503067
+6.3 0.746670666352105 1.0772080081179796
+6.4 2.621030647912811 1.148454584919043
+6.5 0.20640392778869288 1.2632787450202192
+6.6 1.7991640234240867 1.4303111594649665
+6.7 1.2752933713568833 1.6505199904689214
+6.8 3.7513939679651735 1.9158596901295848
+6.9 6.173798201560141 2.2103351047123247
+7.0 3.546025799623852 2.5121623972891265
+7.1 11.020421719327947 2.7963203521598676
+7.2 11.964263844984377 3.037396191474969
+7.300000000000001 11.935355924185853 3.2126351992710407
+7.4 13.899393046175861 3.304872067509185
+7.5 8.662546279039328 3.304872067509185
+7.6 9.926223459447707 3.21263519927104
+7.7 6.383473108269464 3.037396191474969
+7.800000000000001 7.070306622744223 2.7963203521598654
+7.9 7.643298971089845 2.5121623972891265
+8.0 3.3567792350334673 2.210335104712322
+8.1 2.910394263243334 1.9158596901295901
+8.2 1.5900239604856239 1.6505199904689214
+8.3 0.8368829518116452 1.430311159464963
+8.4 0.747902217856648 1.2632787450202205
+8.5 1.3044032169269966 1.1484545849190422
+8.6 -0.04319856234950681 1.0772080081179805
+8.7 1.318889677680389 1.037186952503067
+8.8 2.721087108380009 1.0166694963847998
+8.9 1.7612390187538134 1.0069824199998996
+9.0 0.8131265923662252 1.0027401469644668
+9.100000000000001 0.11349434262051827 1.0010089158723858
+9.2 0.2532788028766597 1.0003487870597734
+9.3 2.692872776635313 1.000113247914371
+9.4 1.0508785909133636 1.0000345400216848
+9.5 0.3630178418248834 1.0000098960038328
+9.600000000000001 1.1909213201405555 1.0000026634829304
+9.7 3.100257897733046 1.0000006734346176
+9.8 1.12015929161122 1.000000159954783
+9.9 1.6172032031173327 1.0000000356907386

examples/benchmark_problems/synthetic_data/gaussian/height_1.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Height (=8)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=8, PeakCentre=7, Sigma=0.2 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/height_2.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Height (=10)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=10, PeakCentre=7, Sigma=0.2 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/height_3.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Height (=12)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=12, PeakCentre=7, Sigma=0.2 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/height_4.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Height (=14)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=14, PeakCentre=7, Sigma=0.2 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/peak_centre_1.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Peak Centre (=6)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=6, Sigma=0.2 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/peak_centre_2.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Peak Centre (=6.5)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=6.5, Sigma=0.2 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/peak_centre_3.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Peak Centre (=7.5)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=7.5, Sigma=0.2 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/peak_centre_4.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Peak Centre (=8)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=8, Sigma=0.2 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/sigma_1.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Sigma (=0.4)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=7, Sigma=0.4 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/sigma_2.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Sigma (=0.6)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=7, Sigma=0.6 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/sigma_3.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Sigma (=0.8)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=7, Sigma=0.8 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}

examples/benchmark_problems/synthetic_data/gaussian/sigma_4.txt

@@ -0,0 +1,8 @@
+# FitBenchmark Problem 
+software = 'Mantiddev' 
+name = 'Sigma (=1)' 
+description = 'This data was generated by Richard Waite for testing mantid minimizers' 
+input_file = 'low_stats_gaussian.dat'
+function = 'name=Gaussian, Height=7, PeakCentre=7, Sigma=1 ; name=FlatBackground, A0=0'
+fit_ranges = {'x': [5, 10]}
+parameter_ranges = {'f0.Height':(5,15), 'f0.PeakCentre':(6,8), 'f0.Sigma':(0.1, 1.2), 'f1.A0':(-2, 2)}