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[paramGUI] Simulate Data and report #16

@jsnel

Description

@jsnel

User of paramGUI generally start with simulating some data and are immediately presented with a visual of how that data looks, as well as the singular value decomposition (SVD) of that data.
(Alternatively they can load in their own data, or load in some default dataset.)

pyglotaran should also have a default simulation method (ref paramGUI), that when called without argument does the following:

Requirements

  1. Generate x-array dataset with default attributes
    it generates a standard x-array dataset with the same parameters (see below) as in paramGUI
  2. Show simulation command
    it shows the command that was used to generate this data (this is important to break the black box and subsequently allow student to change the numbers)
  3. Facilitate plotting it directly showing a standard 'report'
    when .report() is called on this dataset it should look a bit like as it looks in the paramGUI interface (but nicer ofc)

Screenshot(s)

  • paramGUI with default arguments
    image
  • paramGUI with default arguments, but with IRF and sequential scheme
    image

Default arguments

varName label value
simDecayRates Decay rates (0.055,0.005)
simAmplitudes Amplitudes (1.0, 1.0)
simSpecLoc Location (mean) of spectra (cm-1) (22000,20000)
simSpecWidth Width of spectra (cm-1) 4000,3500
simSpecSkew Skewness of spectra (0.1, -0.1)
simTimes Timepoints (linspace) (0, 80, num=80)
simWavelengths Wavelengths (linspace) (400, 600, num=40)
simFracNoise Stdev. noise 0.01
simSeed Seed 123
simEnableIRF Enable Gaussian IRF False
simLocIRF "IRF Location" 2.0
simWidthIRF IRF Width 1.0
simSeqmod Use a sequential scheme False

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