At present data is usually collected by hand. A major concern is the assignment of peaks to nuclei within the compounds. It is possible that the order of the resonances can change as the equilibrium changes.
Data can be entered by hand or from file. The file is constructed by placing the shift values for a solution in a column of a spreadsheet. Some additional data is placed in the first rows and then the data is saved as a text file (tab-separated variable)
| label | sol. 1 | sol. 2 | sol. 3 | sol. 4 | sol. 5 |
| L | 0.04826 | 0.0478 | 0.04726 | 0.04864 | 0.04902 |
| pH | 6.675 | 6.795 | 7.025 | 7.165 | 7.385 |
| H2 | 1.808 | 1.805 | 1.803 | 1.802 | 1.796 |
| H2' | 2.114 | 2.113 | 2.109 | 2.106 | 2.1 |
| H3' | 3.13 | 3.13 | 3.126 | 3.126 | 3.121 |
| H1' | 3.18 | 3.177 | 3.172 | 3.169 | 3.157 |
| H1' | 3.136 | 3.133 | 3.128 | 3.125 | 3.113 |
| C2' | 25.55 | 25.563 | 25.592 | 25.624 | 25.695 |
| C2 | 26.54 | 26.557 | 26.595 | 26.633 | 26.725 |
| C3' | 39.477 | 39.477 | 39.494 | 39.502 | 39.542 |
| C1' | 47.37 | 47.372 | 47.384 | 47.391 | 47.418 |
| C1' | 49.815 | 49.817 | 49.828 | 49.836 | 49.861 |
Contents > Experimental: Errors | Potentiometry | Spectrophotometry | NMR