diffpy.srmise/docs/examples/output/parameter_summary.pwa at 948f470636ec60cda4d98dbad7307e9a46b43768 · kwagoner94/diffpy.srmise · GitHub

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Summary written: Wed Jul  1 09:49:47 2015
produced by luke
diffpy.srmise version 0.5.2
##### User comments
# n/a
##### PDF Peak Extraction Summary
# The information below is not sufficient to replicate extraction.
## PDF metadata
filename=/home/luke/Workspaces/MSU_Research/diffpy.srmise/docs/examples/data/TiO2_fine_qmax26.gr
nyquist=True
qmax=26.0
qmax_reportedbypdf=26.0
qmax_fromdata=25.891671185741703
scale=False
supersample=4.0

## Peak extraction metadata
Range=[1.5, 10.0]
cres=0.05
effective_dy=0.35 (mean)

## Model Quality
# Quality reported by ModelEvaluator: 104.325860766
# Free parameters in extracted peaks: 48
# Free parameters in baseline: 1
# Length of data in final fit: 71
ModelEvaluator=AIC

## Baseline Functions
# Index Type
0 diffpy.srmise.baselines.polynomial

## Baseline
# Parameters of baseline, followed by comment which
# gives the index of corresponding Baseline Function.
# a_1 a_0
-0.65 0.0 # 0

## Peak Functions
# Index Type
0 diffpy.srmise.peaks.gaussianoverr
1 diffpy.srmise.peaks.terminationripples (base=0)

## Extracted Peaks
# Parameters are given in the natural units of the data,
# where width is measured as full-width at half maximum.
# Each line is followed by a comment which gives the index
# of the corresponding Peak Function.
#L position fwhm area
1.9557575566 0.248658302944 2.57966649229 # 1
2.92656490217 0.291862220381 2.55958283694 # 1
3.56383575346 0.269862625583 8.28137684919 # 1
4.09138022129 0.404295533328 3.95046176037 # 1
4.58723033082 0.315801469061 9.06969046677 # 1
4.94060570092 0.27071070821 2.08450169865 # 1
5.46608517526 0.29851994803 13.7878605103 # 1
5.83620379303 0.369145058094 9.08609987966 # 1
6.22701231655 0.25 2.56856134882 # 1
6.45 0.25 2.7 # 1
6.85471110554 0.461748215538 19.0962917078 # 1
7.15 0.25 5.0 # 1
7.44491935924 0.381963363648 25.8808776038 # 1
8.02209529685 0.366568868373 12.6341072777 # 1
8.47946547862 0.410436607124 23.3866523144 # 1
9.05782124485 0.69999918623 42.697210494 # 1
9.99341377969 0.7 54.1669450663 # 1