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

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Summary written: Wed Jul  1 09:49:48 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/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=5000.0 (mean)

## Model Quality
# Quality reported by ModelEvaluator: 92.6752408562
# 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.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
1.44052045545 0.126922793092 35515.0466525 # 1
2.43843453254 0.191284037176 73907.954099 # 1
2.84665187581 0.11855986532 22393.6834175 # 1
3.61300300497 0.207753697835 74116.2415714 # 1
4.11235449811 0.204425214722 57080.4376335 # 1
4.54353747614 0.189099818179 77649.0745578 # 1
4.82003327008 0.0890220621471 25334.5835294 # 1
5.15599260556 0.214856321543 26922.3571293 # 1
5.44889791859 0.249792684771 97884.5152113 # 1
5.79393200168 0.217752816238 65017.8417157 # 1
6.11557123515 0.2127375311 84602.184903 # 1
6.65465778716 0.356092637998 139877.383295 # 1
7.02738113149 0.203717659674 42013.8023086 # 1