TABLE 1.
Correlation Coefficients and Ratio of Peak Distortion for the Simulated LC-MS Data, before Alignment (Original) and after Alignment by DTW, CPM, BHCR, and BAM (with Fixed Knots and with SSVS)
| SNR | Original | DTW | CPM | BHCR |
BAM |
||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| 0.1 | 0.2 | 0.5 | 0.1 | 0.2 | 0.5 | SSVS | |||||
| ∞ | 0.639 (0.060) |
0.918 (0.030) |
0.964 (0.017) |
0.938 (0.016) |
0.960 (0.016) |
0.735 (0.079) |
0.937 (0.016) |
0.962 (0.013) |
0.955 (0.031) |
0.970 (0.010) |
Correlation coeff. |
|
| |||||||||||
| 30 | 0.596 (0.060) |
0.880 (0.034) |
0.936 (0.019) |
0.893 (0.021) |
0.907 (0.022) |
0.685 (0.073) |
0.892 (0.021) |
0.911 (0.017) |
0.894 (0.038) |
0.916 (0.016) |
|
|
| |||||||||||
| 25 | 0.520 (0.060) |
0.823 (0.038) |
0.882 (0.021) |
0.806 (0.031) |
0.812 (0.034) |
0.602 (0.068) |
0.805 (0.032) |
0.819 (0.030) |
0.781 (0.057) |
0.821 (0.028) |
|
|
| |||||||||||
| 20 | 0.379 (0.055) |
0.710 (0.053) |
0.760 (0.040) |
0.616 (0.051) |
0.612 (0.057) |
0.465 (0.065) |
0.616 (0.052) |
0.627 (0.050) |
0.565 (0.064) |
0.629 (0.052) |
|
|
| |||||||||||
| ∞ | 0.168 (0.041) |
0.091 (0.047) |
0.064 (0.029) |
0.079 (0.020) |
0.063 (0.019) |
0.142 (0.042) |
0.079 (0.020) |
0.062 (0.018) |
0.064 (0.024) |
0.054 (0.016) |
Peak distortion |
|
| |||||||||||
| 30 | 0.170 (0.044) |
0.099 (0.050) |
0.072 (0.031) |
0.083 (0.021) |
0.075 (0.022) |
0.147 (0.047) |
0.083 (0.021) |
0.074 (0.021) |
0.081 (0.026) |
0.070 (0.020) |
|
|
| |||||||||||
| 25 | 0.175 (0.044) |
0.106 (0.043) |
0.082 (0.029) |
0.091 (0.024) |
0.089 (0.025) |
0.159 (0.045) |
0.091 (0.024) |
0.088 (0.025) |
0.099 (0.034) |
0.086 (0.022) |
|
|
| |||||||||||
| 20 | 0.175 (0.042) |
0.135 (0.051) |
0.105 (0.033) |
0.102 (0.027) |
0.110 (0.032) |
0.170 (0.044) |
0.101 (0.026) |
0.099 (0.027) |
0.128 (0.036) |
0.100 (0.027) |
|
Means (standard deviations) are reported for the simulated data based on 500 realizations.