Table 1.

RMSD in SMILE peak position, width, and height, as well as the average height deviation relative to the noise-free, fully sampled reference data^a

Peak	Relative height	Fully sampledb	Randomc	T2 weightedc	Sine-weigthed poisson gapc
					θ: 0–π/2	θ: 0–π	no wt
RMSD in peak position (Hz)
1	1.0	0.720	0.753	0.984	2.236	1.051	0.809
2	1.6	0.418	0.488	0.615	1.798	0.613	0.542
3d	2.7	2.491	0.535	1.059	2.083	1.233	0.891
4	4.3	0.163	0.203	0.306	0.868	0.263	0.252
5	7.0	0.109	0.140	0.200	0.558	0.171	0.166
6	11.4	0.074	0.095	0.128	0.325	0.117	0.112
7	18.6	0.052	0.067	0.090	0.223	0.069	0.084
8	30.2	0.048	0.054	0.072	0.166	0.053	0.058
9	49.2	0.043	0.049	0.065	0.134	0.040	0.051
10	80.0	0.008	0.032	0.061	0.102	0.029	0.037
RMSD in peak width (Hz)
1	1.0	0.915	1.024	1.096	1.162	0.940	1.091
2	1.6	0.534	0.742	0.876	1.129	0.664	0.801
3d	2.7	1.378	0.737	1.856	2.519	2.110	1.125
4	4.3	0.197	0.418	0.531	0.879	0.310	0.468
5	7.0	0.128	0.311	0.420	0.717	0.209	0.341
6	11.4	0.075	0.227	0.313	0.506	0.140	0.253
7	18.6	0.046	0.159	0.235	0.409	0.093	0.178
8	30.2	0.029	0.123	0.165	0.300	0.074	0.126
9	49.2	0.018	0.100	0.145	0.216	0.052	0.118
10	80.0	0.011	0.089	0.159	0.176	0.048	0.109
RMSD in peak height relative to reference height (%)
1	1.0	14.0	16.9	18.7	33.1	18.2	17.5
2	1.6	9.1	13.6	14.2	26.1	14.3	14.0
3d	2.7	5.3	7.2	7.5	12.3	11.4	6.8
4	4.3	3.5	5.8	7.0	15.4	7.4	6.3
5	7.0	2.1	3.8	5.1	11.7	4.9	4.0
6	11.4	1.3	2.5	3.5	8.2	3.1	2.9
7	18.6	0.8	1.6	2.5	6.3	2.2	1.7
8	30.2	0.5	1.2	1.9	4.6	1.5	1.2
9	49.2	0.5	0.9	1.6	3.2	1.1	1.1
10	80.0	0.2	0.6	1.1	2.0	0.6	0.7
Average deviation in peak height relative to reference height (%)
1	1.0	2.5	−3.3	−1.1	17.0	−1.3	−4.0
2	1.6	0.3	−4.5	−3.7	6.8	−3.9	−4.8
3d	2.7	−0.3	−1.1	−1.9	−3.9	−6.1	−1.7
4	4.3	−0.2	−2.0	−2.1	−2.4	−3.0	−2.1
5	7.0	0.1	−1.5	−1.7	−3.8	−2.4	−1.1
6	11.4	0.1	−1.0	−1.1	−3.7	−1.5	−0.8
7	18.6	−0.2	−0.6	−0.7	−3.0	−1.1	−0.3
8	30.2	0.0	−0.2	−0.3	−1.7	−0.8	−0.1
9	49.2	−0.4	−0.0	0.0	−0.8	−0.5	0.1
10	80.0	0.0	−0.0	0.0	−0.0	−0.0	0.0
Missing peaks		0.1%	0.7%	0.5%	1.4%	0.9%	1.0%

^aThe time domain input data can be downloaded from http://spin.niddk.nih.gov/bax/software/SMILE, and all the scripts used for the simulation and reconstructions are included as Supplementary Material

^bSimulated fully sampled data set (t₁ = 94.8 ms) with the peak intensity scaled down by √10 and the deviations calculated from the data sets with and without the RMS noise added

^cCompared to the 142.2 ms (50% longer t₁) fully sampled noise-free data to match the 50% extended acquisition time in the F₁ dimension of the final SMILE spectra. Poisson gap sampling schemes as defined by (Hyberts et al. 2010). T₂-weighted exponential sampling scheme using the NUS sampler provided in MddNMR (Orekhov and Jaravine 2011)

^dThis peak was always placed 23 Hz away from the strongest peak (#10)