diffpy.srmise/docs/examples/output/unknown_dG_m7.pwa at 948f470636ec60cda4d98dbad7307e9a46b43768 · kwagoner94/diffpy.srmise · GitHub

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Summary written: Wed Jul  1 10:01:38 2015
produced by luke
diffpy.srmise version 0.5.2
##### User comments
# Multimodeling Summary
# ---------------------
# Model: 7 (of 20)
# Class: 7 (of 16, tol=0.2)
# Best model from dG: 4477.33973684-4477.33973684
# Evaluated at dG: 4477.33973684
# Akaike probability: 0.388316
##### 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/C60_fine_qmax21.gr
nyquist=True
qmax=21.299999
qmax_reportedbypdf=21.299999
qmax_fromdata=20.755266780473114
scale=False
supersample=4.0

## Peak extraction metadata
Range=[1.0, 7.25]
cres=0.05
effective_dy=5029.34052632 (mean)

## Model Quality
# Quality reported by ModelEvaluator: 89.4691119999
# Free parameters in extracted peaks: 39
# Free parameters in baseline: 0
# Length of data in final fit: 43
ModelEvaluator=AIC

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

## Baseline
# Parameters of baseline, followed by comment which
# gives the index of corresponding Baseline Function.
(no parameters) # 0

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

## 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
1.4417380998 0.13653359706 36320.7534683 # 2
2.43832278506 0.201210428425 75273.2073159 # 2
2.84403923881 0.0597138256269 21317.223983 # 2
3.61488016498 0.206498036173 74008.8052026 # 2
4.11183883704 0.214845040662 58207.1245709 # 2
4.54307340829 0.183393357796 75941.8390331 # 2
4.83396514156 0.159909717143 30208.592012 # 2
5.17265976331 0.0845551668723 25179.0215468 # 2
5.43502189273 0.180502070066 83966.9341473 # 2
5.75526585575 0.239468243089 70127.0241405 # 2
6.10980020014 0.256814025441 94280.9867174 # 2
6.63813649205 0.305053576514 122154.236481 # 2
6.99526082592 0.285611055153 58328.1689735 # 2