PySpecData Examples

Below is a gallery of examples using our various functions.

Polynomial Fitting

Polynomial Fitting

PPM in 2D

PPM in 2D

Error and units example

Error and units example

Calculation of the Covariance Matrix

Calculation of the Covariance Matrix

Simple Convolution Example

Simple Convolution Example

Plotting Routines

Plotting Routines

Calculation of the Covariance Matrix

Calculation of the Covariance Matrix

ppm Example

ppm Example

Basic Slicing/Filtering Example

Basic Slicing/Filtering Example

Unevenly spaced data

Unevenly spaced data

DCCT

We now have nicely packaged code to generate Domain Colored Coherence Transfer images.

Arranging Multiple DCCT Plots

Arranging Multiple DCCT Plots

Using the DCCT function

Using the DCCT function

ESR

Examples involving Bruker Electron Spin (Paramagnetic) Resonance Data.

EPR u-domain

EPR u-domain

Bruker cw ESR Data

Bruker cw ESR Data

Quantitative ESR

Quantitative ESR

Regularization

1, 1.5, and 2D regularization

2D ILT

2D ILT

1D BRD regularization

1D BRD regularization

UV

Reading Cary UV-Vis data and performing manipulations.

Simple Cary UV-Vis loading

Simple Cary UV-Vis loading

Manipulation of UV-Vis data

Manipulation of UV-Vis data

BSA UV-Vis Calibration

BSA UV-Vis Calibration

Fitting

Classes that we have developed to make curve-fitting nicer.

Fit Using Bounds

Fit Using Bounds

Fit complex data

Fit complex data

Fit complex data with transform

Fit complex data with transform

Fitting Data (Nonlinear + Symbolic)

Fitting Data (Nonlinear + Symbolic)

XX Individual Functions XX

These are not very important – just tests to verify the performance of individual functions.

Save data to HDF5

Save data to HDF5

Extend

Extend

Convolution

Convolution

sphx_glr_auto_examples_indiv_funcs_test_colormatch.py

show an easy method for matching colors using pyspecdata

Unitary FT

Unitary FT