Fig. 3

Comparison of PyChelator results obtained from different stability constants. A PyChelator offers the selection of stability constants from four sources, and allows the input of user-defined constants. B Calculations done in PyChelator using the four sets of stability constants, sourced from the National Institute of Standards and Technology ‘NIST’ [11], ‘SPECS’ by Fabiato [2], ‘Chelator’ by Schoenmakers et al. [3], and ‘Calcium’ by Föhr et al. [5]. Buffers composed of varying total calcium concentration and constant pH of 7.0, temperature of 20 °C, Ionic equivalence (Ie) of 100 mM, 2 mM ATP, 1 mM EGTA, and 6 mM MgCl₂. Results represented in a connecting-line plot show that constants sourced from NIST and Calcium software yield similar results to each other and differ from those generated using the constants from SPECS and Chelator program. Notably, the high-precision calculations performed in PyChelator Colab employing the NIST constants and arbitrary precision of 50 decimals in calculations (PyNIST), were similar to those obtained from PyChelator web application using the same constants (NIST)