SPRpy changelog

v1.2.0

Features

• Can now tune initial guess and lower and upper bounds for the fitting of refractive index during exclusion height determination

Fixes

• Fixed rare problem with previous default x0, lower/upper bounds for RI fitting during exclusion height determination of extremely hydrated layers
• Increased the default upper height limit in exclusion height determination to a factor of 12 times the lower limit (instead of 6).
• Fixed problem with selecting different exclusion height objects that had not yet run any calculations
• Fixed problem with removing exclusion height objects

v1.1.9

Features

• Add data trace now also defaults to current data file's folder location

v1.1.8

Features

• Adding Ti as optional adhesion material in default values
• Ti is now default adhesion layer for SiO2 films

v1.1.7

Fixes

• Updated default TIR range to be broader and extended to lower angles
• Added missing dependency for version 1.1.6 (yanked).

v1.1.6

Features

• When loading new data files the explorer window now defaults to the previous data file's location.

v1.1.5

Fixes

• Fixed default k value to 5.42 for Au 850 nm
• Fixed dependency issue with pandas > 3.0, limiting to version 2.3.1

v1.1.4

Fixes

• Fixed default k value to 0 for 850 nm wavelength sensors
• Tweaked default k values for Au
• Fixed crash in SPRpy_X_cal.py, now correctly reads "," as decimal points

v1.1.3

Fixes

• Fixed slow loading times when selecting points in exclusion height determination
• When loading new measurement data the wavelength dependent bulk correction parameters are now also updated

v1.1.2

Fixes

• Now correctly updates sensorgram graph after applying new TIR and SPR fitting parameters

v1.1.1

Fixes

• Now correctly handles selecting TIR fitting parameters according to scanspeed when loading new measurements in one session.

v1.1.0

Features

• Optical parameters for sensor tables are now loaded from values entered in "[default_sensor_values]" in config.toml
• Can now change TIR and SPR angle fitting parameters and refit them using inputs and a button in a collapsable hidden menu in the Response quantification tab. NOTE: This will change the TIR and SPR fitting for hte whole session.
• Default TIR and SPR fitting parameters added to config.toml
• Displays the TIR and SPR angle fits in the reflectivity window when hovering over data points in the SPR sensorgram
• A custom folder location for the "SPRpy sessions" folder and for the data prompt folder can now be set in config.toml

Fixes

• Now includes time point information when TIR or SPR angle is not found.
• Angle range markers in Fresnel modelling figure now updates correctly

v1.0.1

Fixes

• Add data trace and fresnel calculation now correctly updates the reflectivity figure

v1.0.0

Features

• Result summary tab with barplot for fresnel data and data export as .csv now available
• Included .csv data saving option for all figures and changed to filedialog window for choosing filenames
• Included bulk correction to sensorgram in quantification tab

Fixes

• Included pywin32 as dependency for Windows platforms (required for command "SPRpy-desktop-shortcut")
• Limited dependency for dash to v2.18.2 as graph changes in dash >= 3.0.0 cause CSS problems with indefinitely growing plots
• Limited dependency for dash-bootstrap-components to v1.7.2 as last compatible release to dash v2.18.2
• Fixed sensor remove logic similarly to removal of fresnel objects
• Added compatibility fix for loading older session versions. NOTE: Will still cause erroneous results in result summary tab if multiple layers were fitted for one sensor object
• Clarified text for batch fresnel modelling options

v0.2.3

Fixes

• Fixed build problem with python 3.12

v0.2.2

Fixes

• Added support for python 3.12 (still problem with python 3.13.0 due to tkinter issue until patch 3.13.1)
• Added support for latest kaleido version (v0.4.1)

v0.2.1

Features

• Added support for using fewer than the maximum number of available logical cores in parallel computing steps. Change "max_logical_cores" in config.toml

Fixes

• Fixed X-calibration not accounting for scanspeed
• Fixed Y-calibration error for calibration scans with reflectivity above 1.0
• Moved default X-cal filename to config.toml
• Generalised TIR_determination() to work for any scanspeed (different filtering and fitting for scanspeeds below or above 5)

v0.2.0

Features

• Generalised SPRpy_X_cal.py and SPRpy_spr2_to_csv.py to work with Bionavis instruments with any wavelength setup.
• Added support for 850 nm lasers
• Added batch analysis processing for fresnel modelling
• Added offset and prism extinction fit settings to fresnel modelling and exclusion height determination
• Added automatic angle range detection based on SPR minimum to fresnel modelling (can be tuned in config.toml)

Fixes

• Updated README with accurate documentation
• Updated algorithm in SPRpy_spr2_to_csv.py producing more accurate absolute angles (5 mdeg variation between measurements)
• SPRpy is now compatible with numpy 2.0
• New refractive index values for Cr, Pt
• Changed fresnel algorithm from iterating reflectivity offsets to fitting a reflectivity offset for the whole range

v0.1.3

Features

Fixes

• Fixed bug with angle range slider max values
• Fixed bug with renaming sessions

v0.1.1

• First working release of SPRpy