Modelo de mínimos cuadrados parciales (pls) Minitab

Sample f13 f14 f15 f16 f17 f18 f19 f20 f21 f22 f23 f24 f25 f26 f27 f28 f29 f30 17mix35 -0.335 -0.315 -0.333 -0.377 -0.453 -0.549 -0.658 -0.797 -0.878 -0.954 -1.06 -1.266 -1.52 -1.804 -2.044 -2.269 -2.496 -2.714 19mix35 -0.345 -0.323 -0.342 -0.387 -0.461 -0.554 -0.665 -0.803 -0.887 -0.96 -1.072 -1.272 -1.541 -1.814 -2.058 -2.289 -2.496 -2.712 21mix35 -0.384 -0.369 -0.377 -0.421 -0.495 -0.596 -0.706 -0.824 -0.917 -0.988 -1.103 -1.294 -1.565 -1.841 -2.084 -2.32 -2.521 -2.729 23mix35 -0.381 -0.359 -0.369 -0.426 -0.499 -0.591 -0.701 -0.843 -0.925 -0.989 -1.109 -1.31 -1.579 -1.852 -2.09 -2.316 -2.521 -2.743 25mix35 -0.422 -0.407 -0.422 -0.468 -0.538 -0.639 -0.753 -0.887 -0.968 -1.037 -1.147 -1.357 -1.619 -1.886 -2.141 -2.359 -2.585 -2.792 27mix35 -0.528 -0.525 -0.55 -0.606 -0.689 -0.781 -0.909 -1.031 -1.126 -1.191 -1.303 -1.503 -1.784 -2.058 -2.297 -2.507 -2.727 -2.97 29mix35 -0.919 -0.915 -0.933 -0.981 -1.055 -1.157 -1.271 -1.409 -1.505 -1.546 -1.675 -1.88 -2.14 -2.415 -2.655 -2.879 -3.075 -3.319 28mix35 -1.575 -1.58 -1.619 -1.671 -1.754 -1.857 -1.982 -2.114 -2.21 -2.258 -2.379 -2.57 -2.858 -3.117 -3.347 -3.568 -3.764 -4.012 26mix35 -2.267 -2.317 -2.369 -2.46 -2.545 -2.668 -2.807 -2.951 -3.03 -3.075 -3.214 -3.376 -3.685 -3.907 -4.129 -4.335 -4.501 -4.599 24mix35 -2.696 -2.808 -2.913 -3.03 -3.163 -3.265 -3.376 -3.534 -3.642 -3.721 -3.858 -4.012 -4.262 -4.501 -4.704 -4.822 -4.956 -5.292 22mix35 -3.032 -3.214 -3.378 -3.503 -3.646 -3.812 -3.958 -4.129 -4.193 -4.262 -4.415 -4.501 -4.823 -5.111 -5.113 -5.294 -5.29 -5.294 20mix35 -3.376 -3.572 -3.812 -4.012 -4.262 -4.415 -4.501 -4.705 -4.823 -4.823 -4.956 -5.111 -5.111 -5.516 -5.524 -5.806 -5.806 -5.806 18mix35 -3.568 -3.907 -4.193 -4.423 -4.825 -5.111 -5.111 -5.516 -5.516 -5.516 -5.516 -5.806 -5.806 -5.806 -5.806 -5.806 -6.21 -6.215 trp2 0.54 0.563 0.541 0.488 0.414 0.313 0.203 0.063 -0.028 -0.097 -0.215 -0.411 -0.678 -0.953 -1.208 -1.418 -1.651 -1.855 mix5 0.446 0.46 0.443 0.389 0.314 0.22 0.099 -0.033 -0.128 -0.197 -0.308 -0.506 -0.785 -1.05 -1.313 -1.529 -1.745 -1.97 mix4 0.337 0.354 0.33 0.274 0.206 0.105 -0.009 -0.148 -0.242 -0.306 -0.424 -0.626 -0.892 -1.172 -1.425 -1.633 -1.877 -2.071 mix3 0.069 0.079 0.05 -0.006 -0.082 -0.179 -0.295 -0.436 -0.523 -0.584 -0.706 -0.898 -1.178 -1.446 -1.696 -1.922 -2.128 -2.35 mix6 -1.104 -1.162 -1.233 -1.317 -1.425 -1.543 -1.661 -1.804 -1.877 -1.959 -2.034 -2.249 -2.502 -2.732 -2.964 -3.142 -3.313 -3.576 43trp6 -3.572 -3.513 -3.634 -3.572 -3.772 -3.772 -3.844 -3.932 -4.017 -4.023 -4.117 -4.227 -4.492 -4.66 -4.855 -5.428 -5.103 -5.428 59mix6 -4.001 -4.001 -3.907 -4.001 -4.098 -4.098 -4.206 -4.098 -4.213 -4.213 -4.335 -4.474 -4.639 -4.838 -4.837 -5.085 -5.41 -5.41 51mix6 -3.83 -3.83 -3.755 -3.912 -4.006 -4.001 -4.213 -4.213 -4.335 -4.483 -4.483 -4.642 -4.841 -5.088 -5.088 -5.415 -5.415 -5.415 49mix6 -4.11 -4.11 -4.11 -4.22 -4.22 -4.343 -4.483 -4.483 -4.65 -4.65 -4.846 -4.846 -5.093 -5.091 -5.419 -5.417 -5.417 -5.907 53mix6 -4.641 -4.639 -4.639 -4.837 -4.838 -4.838 -5.083 -5.082 -5.083 -5.41 -5.41 -5.408 -5.408 -5.9 -5.41 -5.903 -5.9 -6.908 57mix6 -5.082 -5.08 -5.408 -5.408 -5.408 -5.408 -5.408 -5.408 -5.408 -5.9 -5.9 -5.9 -5.9 -5.9 -5.9 -5.9 -6.908 -6.908 41tyro6 -5.918 -5.918 -5.431 -5.918 -5.918 -5.918 -5.918 -5.918 -5.918 -5.918 -5.918 -6.908 -5.918 -5.918 -6.908 -6.908 -5.918 -5.918 28trp5 -1.244 -1.213 -1.24 -1.292 -1.373 -1.453 -1.571 -1.697 -1.801 -1.873 -2.008 -2.198 -2.469 -2.706 -2.99 -3.209 -3.384 -3.601 37mix5 -1.367 -1.348 -1.374 -1.415 -1.503 -1.596 -1.718 -1.839 -1.927 -1.997 -2.118 -2.333 -2.567 -2.874 -3.106 -3.313 -3.579 -3.781 33mix5 -1.52 -1.509 -1.524 -1.58 -1.665 -1.758 -1.882 -2.037 -2.09 -2.162 -2.284 -2.465 -2.761 -3.037 -3.27 -3.52 -3.709 -3.937 31mix5 -1.86 -1.837 -1.881 -1.949 -2.009 -2.127 -2.23 -2.381 -2.455 -2.513 -2.624 -2.827 -3.117 -3.373 -3.586 -3.785 -4.04 -4.366 35mix5 -2.488 -2.487 -2.529 -2.593 -2.688 -2.792 -2.908 -3.037 -3.149 -3.189 -3.273 -3.467 -3.781 -4.029 -4.241 -4.501 -4.669 -4.865 39mix5 -3.182 -3.268 -3.361 -3.411 -3.517 -3.576 -3.705 -3.849 -3.932 -3.932 -4.029 -4.234 -4.501 -4.664 -4.86 -5.104 -5.431 -5.433 26tyro5 -4.398 -4.699 -4.893 -5.138 -5.14 -5.461 -5.463 -5.945 -5.461 -5.138 -5.14 -5.138 -5.138 -5.463 -5.461 -5.461 -5.461 -5.461 tyro2 -2.449 -2.818 -3.11 -3.467 -3.781 -4.029 -4.241 -4.366 -4.501 -4.366 -4.501 -4.501 -4.668 -4.668 -4.865 -4.865 -5.109 -5.111 La columna de más a la izquierda identifica cada muestra (sample). Las siguientes 2 columnas son concentraciones conocidas de los aminoácidos. Las 30 columnas restantes contienen los espectros medidos. Nota: concentraciones originalmente iguales a 0 se pusieron a 1.0E-8 para que se pudiera realizar la transformación logarítmica. A continuación se muestra el espectro observado para una muestra típica: Las primeras 18 muestras se usarán como grupo de entrenamiento para estimar un modelo de predicción. Entonces el modelo se probará en las 15 muestras restantes.

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