Description Usage Format Source References Examples
A sample calibration data with two replicates for each standard.
1 2 3 4 5 |
A data frames with 14 observations containing calibration curve of 5 compounds.
conc
concentration of a standard
area
peak area (response)
The data was originally published by Kirkup and Mulholland (2004) to discuss various calibration models.
Kirkup, L., Mulholland, M. (2004). Comparison of linear and non-linear equations in univariate calibration. J. Chromatogr. A, 1029, 1-11.
1 2 3 4 5 6 7 |
Loading required package: MASS
Loading required package: outliers
------------------------------------------
If you use this package, please cite the recent paper containing description of this software:
Komsta, L. Chemometric and statistical evaluation of calibration curves in pharmaceutical analysis
- a short review on trends and recommendations. J. AOAC Int. 2012, 95, 3, 669-672.
------------------------------------------
There were 12 warnings (use warnings() to see them)
Optimal Box-Cox power on x: 1.0706
Optimal Box-Cox power on y: 0.9286
Optimal power of weighting on x: -1.1
Optimal power of weighting on y: -1.2
Mean relative error:
0.003800207 on x
0.003778024 on y
0.003999273 unweighted
Better weighting on y: TRUE
Coefficients:
Estimate Std. Error t value Pr(>|t|)
x0 P1 9285.2032 1865.6239 4.9770 0.0003215 ***
x0 P2 23785.8581 3622.5547 6.5660 4.046e-05 ***
x0 P3 15884.8049 15495.0837 1.0252 0.3294508
x0 P4 99514.3329 47017.7766 2.1165 0.0633944 .
x0 R1 6950.5171 1654.4969 4.2010 2.658e-05 ***
x0 R2 63203.4992 1746.3796 36.1912 < 2.2e-16 ***
x0 R3 -66491.1832 5816.9866 -11.4305 < 2.2e-16 ***
x0 R4 178849.2739 12441.3020 14.3754 < 2.2e-16 ***
x0 bx 39029.0998 1150.3645 33.9276 2.733e-13 ***
x0 by 16991.1734 481.2495 35.3064 1.702e-13 ***
x0 l1 3.4461 0.0116 297.8942 < 2.2e-16 ***
x0 l2 3.9466 0.1004 39.2999 3.508e-13 ***
x0 p1 7185.5156 2089.5912 3.4387 0.0049061 **
x0 p2 24476.5774 3767.7857 6.4963 4.450e-05 ***
x0 p3 6629.6786 14096.2525 0.4703 0.6482197
x0 p4 84946.0666 40940.9648 2.0748 0.0678297 .
x0 r1 6217.5759 2299.2674 2.7042 0.0068478 **
x0 r2 65588.9586 2189.9951 29.9494 < 2.2e-16 ***
x0 r3 -61566.2330 7037.2999 -8.7486 < 2.2e-16 ***
x0 r4 181251.9827 13538.4495 13.3879 < 2.2e-16 ***
x1 P1 2426.2468 9.9272 244.4036 < 2.2e-16 ***
x1 P2 2257.7038 40.2376 56.1093 7.112e-15 ***
x1 P3 2397.0219 268.3580 8.9322 4.429e-06 ***
x1 P4 452.3725 1071.8938 0.4220 0.6829048
x1 R1 2435.8586 8.8038 276.6832 < 2.2e-16 ***
x1 R2 1928.5087 19.3980 99.4182 < 2.2e-16 ***
x1 R3 3604.3647 100.7439 35.7775 < 2.2e-16 ***
x1 R4 -1726.2560 283.6322 -6.0862 1.156e-09 ***
x1 bx 1676.1184 3.9161 428.0083 < 2.2e-16 ***
x1 by 955.4713 2.2442 425.7567 < 2.2e-16 ***
x1 l1 0.9772 0.0051 193.3863 < 2.2e-16 ***
x1 l2 0.5311 0.0893 5.9447 9.666e-05 ***
x1 p1 2436.7245 9.7442 250.0686 < 2.2e-16 ***
x1 p2 2250.3211 38.8158 57.9744 4.969e-15 ***
x1 p3 2556.7962 236.8145 10.7966 7.840e-07 ***
x1 p4 784.0799 907.5734 0.8639 0.4100597
x1 r1 2439.7193 10.7220 227.5435 < 2.2e-16 ***
x1 r2 1908.1636 22.5614 84.5766 < 2.2e-16 ***
x1 r3 3530.5491 118.2254 29.8629 < 2.2e-16 ***
x1 r4 -1784.4548 300.1184 -5.9458 2.750e-09 ***
x2 P2 0.4327 0.1020 4.2425 0.0013831 **
x2 P3 -0.3205 1.4371 -0.2230 0.8280176
x2 P4 15.7540 8.7301 1.8046 0.1046309
x2 R2 1.0957 0.0492 22.2859 < 2.2e-16 ***
x2 R3 -5.9925 0.5395 -11.1077 < 2.2e-16 ***
x2 R4 36.5554 2.3100 15.8245 < 2.2e-16 ***
x2 l2 0.0989 0.0198 4.9954 0.0004055 ***
x2 p2 0.4505 0.0928 4.8556 0.0005062 ***
x2 p3 -1.1670 1.2373 -0.9432 0.3677970
x2 p4 13.0751 7.1807 1.8209 0.1019624
x2 r2 1.1374 0.0539 21.0926 < 2.2e-16 ***
x2 r3 -5.6390 0.6177 -9.1293 < 2.2e-16 ***
x2 r4 37.0616 2.3745 15.6080 < 2.2e-16 ***
x3 P3 0.0013 0.0024 0.5255 0.6106812
x3 P4 -0.0550 0.0303 -1.8153 0.1028663
x3 R3 0.0098 0.0009 10.8887 < 2.2e-16 ***
x3 R4 -0.1379 0.0080 -17.1958 < 2.2e-16 ***
x3 p3 0.0027 0.0020 1.3108 0.2192314
x3 p4 -0.0458 0.0242 -1.8915 0.0911248 .
x3 r3 0.0093 0.0010 9.1678 < 2.2e-16 ***
x3 r4 -0.1397 0.0080 -17.4378 < 2.2e-16 ***
x4 P4 0.0001 0.0000 1.8616 0.0955657 .
x4 R4 0.0002 0.0000 18.7017 < 2.2e-16 ***
x4 p4 0.0001 0.0000 2.0064 0.0757681 .
x4 r4 0.0002 0.0000 19.4460 < 2.2e-16 ***
---
Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
Residuals:
0% 25% 50% 75% 100% W
p1 -3411.2350 -956.2609 -633.8371 675.2061 4691.8080 0.8997
p2 -1791.1304 -1110.4795 -185.7831 1364.0765 1904.8696 0.8774
p3 -1653.4307 -953.4773 -287.4505 904.7724 2392.5513 0.9501
p4 -1709.4648 -668.0869 192.0693 673.1431 1986.5352 0.9720
P1 -3206.8646 -1398.9152 -530.8360 -19.7872 4901.1638 0.8633
P2 -1675.1390 -1096.8205 -140.9642 1303.0759 2020.8610 0.8798
P3 -1533.4564 -1038.8358 -260.8895 1144.0320 2162.5436 0.8972
P4 -1766.8812 -702.0159 89.2569 710.3186 1929.1188 0.9638
l1 -0.0028 -0.0021 -0.0010 0.0005 0.0066 0.8638
l2 -0.0027 -0.0010 -0.0002 0.0011 0.0034 0.9562
bx -1876.4174 -1214.4929 -38.1910 1368.0099 1819.5826 0.8834
by -756.9503 -463.0558 -23.7449 533.4825 759.1336 0.8932
r1 -3101.8541 -795.0184 -174.4162 1274.9338 5348.5869 0.9228
r2 -14769.0697 -5811.0169 -363.8833 -38.3051 1271.6388 0.7286
r3 -1084.6571 -157.4836 186.7870 420.2634 10272.1227 0.5976
r4 -14008.3794 -199.7239 -69.2792 133.9334 3682.5651 0.5809
R1 -2985.8187 -567.9099 -251.8039 1016.6706 5016.7765 0.8930
R2 -14047.1060 -5558.1056 -349.6547 -96.1537 1255.7213 0.7334
R3 -1052.9120 -135.2842 121.7895 517.0114 10736.4510 0.5918
R4 -13802.8794 -191.1081 -73.5248 125.5459 3689.5663 0.5829
Pr(<W)
p1 0.1115569
p2 0.0533595 .
p3 0.5617375
p4 0.9018410
P1 0.0337856 *
P2 0.0576933 .
P3 0.1025857
P4 0.7850142
l1 0.0343363 *
l2 0.6603242
bx 0.0649205 .
by 0.0898782 .
r1 0.2412125
r2 0.0007420 ***
r3 3.864e-05 ***
r4 2.753e-05 ***
R1 0.0893096 .
R2 0.0008371 ***
R3 3.431e-05 ***
R4 2.866e-05 ***
---
Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
Variances:
Min Median Max K Pr(>K)
Pure 2380.50 186660.50 6830208.00 12.297 0.055653 .
Log 0.00 0.00 0.00 17.741 0.006914 **
Box-Cox 371.52 28344.99 1149255.19 12.650 0.048946 *
---
Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
Goodness of fit:
R-Sq Adj-R-Sq AIC Sigma SSR SSPE F
p1 0.99981 0.99979 261.75205 2.4215e+03 7.0363e+07 7.9093e+06 11.0548
p2 0.99994 0.99993 247.71781 1.4265e+03 2.2385e+07 7.9093e+06 3.2028
p3 0.99995 0.99993 247.49803 1.3821e+03 1.9102e+07 7.9093e+06 3.3021
p4 0.99996 0.99995 244.32234 1.2110e+03 1.3199e+07 7.9093e+06 2.3407
P1 0.99980 0.99978 262.44697 9.7260e-01 1.1351e+01 7.9093e+06 NA
P2 0.99992 0.99991 250.87610 6.2560e-01 4.3057e+00 7.9093e+06 NA
P3 0.99993 0.99990 252.49472 6.4730e-01 4.1900e+00 7.9093e+06 NA
P4 0.99995 0.99992 249.93419 5.7980e-01 3.0251e+00 7.9093e+06 NA
l1 0.99968 0.99965 -120.27937 2.9000e-03 1.0000e-04 0.0000e+00 5.8256
l2 0.99990 0.99988 -134.86012 1.7000e-03 0.0000e+00 0.0000e+00 1.0133
bx 0.99993 0.99993 246.70642 1.4149e+03 2.4022e+07 7.9093e+06 2.8521
by 0.99993 0.99993 220.63859 5.5769e+02 3.7322e+06 1.3106e+06 2.5867
r1 NA NA 262.21028 1.6418e+03 7.2705e+07 7.9093e+06 NA
r2 NA NA 290.09308 1.4818e+03 4.6182e+08 7.9093e+06 NA
r3 NA NA 276.52142 9.1631e+02 1.5185e+08 7.9093e+06 NA
r4 NA NA 291.36478 6.7655e+02 3.8005e+08 7.9093e+06 NA
R1 NA NA 264.54576 7.0860e-01 1.3187e+01 7.9093e+06 NA
R2 NA NA 297.47919 5.3140e-01 1.2015e+02 7.9093e+06 NA
R3 NA NA 287.70642 3.1990e-01 5.1822e+01 7.9093e+06 NA
R4 NA NA 284.47973 2.5870e-01 3.5676e+01 7.9093e+06 NA
Pr(>F)
p1 0.003222 **
p2 0.085570 .
p3 0.087435 .
p4 0.166576
P1 NA
P2 NA
P3 NA
P4 NA
l1 0.019460 *
l2 0.461544
bx 0.102212
by 0.123754
r1 NA
r2 NA
r3 NA
r4 NA
R1 NA
R2 NA
R3 NA
R4 NA
---
Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
Sensitivity and autocorrelation:
Sens LOD LOQ Auto DW Pr(<DW)
p1 0.9937 3.2794 9.9375 0.0939 1.38728 0.077872 .
p2 0.6339 2.0919 6.3392 -0.1521 2.13482 0.445225
p3 0.5406 1.7839 5.4057 -0.2232 2.14595 0.450685
p4 1.5445 5.0968 15.4449 -0.1887 2.04487 0.420956
P1 0.0004 0.0013 0.0040 0.0418 1.54238 0.134268
P2 0.0003 0.0009 0.0028 -0.1701 2.14728 0.454901
P3 0.0003 0.0009 0.0027 -0.1870 2.13902 0.445513
P4 0.0013 0.0042 0.0128 -0.2006 2.07907 0.444676
l1 NA NA NA 0.0226 1.41554 0.087374 .
l2 NA NA NA -0.1287 1.88321 0.271245
bx NA NA NA -0.1422 2.13281 0.533920
by NA NA NA -0.1441 2.12070 0.524305
r1 0.6729 2.2207 6.7294 0.1021 1.28980 0.053014 .
r2 0.7766 2.5627 7.7656 0.4207 0.89283 0.005037 **
r3 0.2595 0.8565 2.5954 0.0000 1.30219 0.043064 *
r4 -0.3791 -1.2511 -3.7913 0.0018 1.44432 0.104051
R1 0.0003 0.0010 0.0029 0.0724 1.35904 0.069900 .
R2 0.0003 0.0009 0.0028 0.4162 0.90904 0.005519 **
R3 0.0001 0.0003 0.0009 0.0006 1.30923 0.044293 *
R4 -0.0001 -0.0005 -0.0015 0.0014 1.44412 0.103986
---
Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
Mandel's test:
Res.Df RSS Df Sum of Sq F Pr(>F)
1 12 70363425
2 11 22384542 1 47978882 23.577 0.0005062 ***
---
Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
Mandel's test on log-log models:
Res.Df RSS Df Sum of Sq F Pr(>F)
1 12 9.9160e-05
2 11 3.0338e-05 1 6.8822e-05 24.954 0.0004055 ***
---
Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
ANOVA table for unweighted models:
Res.Df RSS Df Sum of Sq F Pr(>F)
1 12 70363425
2 11 22384542 1 47978882 32.7159 0.000287 ***
3 10 19102416 1 3282126 2.2380 0.168870
4 9 13198760 1 5903657 4.0256 0.075768 .
---
Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
ANOVA table for weighted models:
Res.Df RSS Df Sum of Sq F Pr(>F)
1 12 11.3507
2 11 4.3057 1 7.0450 20.9599 0.001331 **
3 10 4.1900 1 0.1157 0.3443 0.571805
4 9 3.0251 1 1.1649 3.4656 0.095566 .
---
Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.