larger_datasets/README.md

In bpbond/nmrrr: Binning and Visualizing NMR Spectra in Environmental Samples

larger datsets

This directory contains datasets not formally included with the nmrrr package due to size constraints, but made available to users as practice datasets for different solvents/nuclei.

| dataset name | nuclei | solvent | notes | |------------------|------------------|--------------------|------------------| | amp_tempest | 1H | MeOD | Soil extracts with seawater, using soil samples collected from the TEMPEST ecosystem manipulation experiment (Hopple et al. 2023). Soil extracts were generated using seawater and cleaned/concentrated by solid phase extraction, eluted using methanol. Raw data were processed in MNova. | | kfp_drydown | 1H | D2O | Soil samples from Alaska and Washington (USA) were subjected to drought. Soil water extracts were freeze-dried and reconstituted in D2O for 1H NMR. Raw data were processed in MNova. | | meb_sierra | 31P | NaOH + EDTA + MeOD | Data obtained from Barnes 2020. Soil samples were collected from the Sierra Nevada (A horizon). Samples were extracted using 0.25 M NaOH and 0.05 M Na2EDTA (1:10 v/v), freeze-dried, and reconstituted in 1.08 mL of a 1.0 M NaOH and 0.05 M EDTA solution plus 0.12 mL of D2O. Reconstituted samples were spiked with MDP. Raw data were processed in MNova | | meb_char | 31P | NaOH + EDTA + MeOD | Vegetation samples were collected across Washington and Oregon, USA and then experimentally burnt in an open-air burn table. Samples were extracted using 0.25 M NaOH and 0.05 M Na2EDTA (1:20 v/v), freeze-dried, and reconstituted in 0.52 mL of D2O, 0.52 mL of 0.5 M NaOH with 0.1 M EDTA, and 0.26 mL of 10 M NaOH. |

bpbond/nmrrr documentation built on Aug. 26, 2023, 6:53 p.m.