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tests/testthat/_snaps/time_xposeNlmeModel.md
In Certara.Xpose.NLME: Enhances 'xpose' Diagnostics for Pharmacometric Models from 'Certara.RsNLME' and Phoenix NLME
xposeNlmeModel works with time-based model
Code
tail(as.data.frame(xpdb$data$data[[1]]))
Output
Subject Nom_Time Act_Time Amount Conc Age BodyWeight Gender ID WhichReset
107 16 1 0.47 NA 1190 44 44 male 16 0
108 16 1 0.85 NA 535 44 44 male 16 0
109 16 2 1.95 NA 333 44 44 male 16 0
110 16 4 3.91 NA 341 44 44 male 16 0
111 16 8 7.98 NA 273 44 44 male 16 0
112 16 24 24.19 NA 101 44 44 male 16 0
TIME V Cl V2 Cl2 IVAR TAD PRED IPRED
107 0.47 11.52206 3.299756 41.20187 16.64125 0.47 0.47 899.7170 1039.950
108 0.85 11.52206 3.299756 41.20187 16.64125 0.85 0.85 599.9920 663.070
109 1.95 11.52206 3.299756 41.20187 16.64125 1.95 1.95 286.3000 366.239
110 3.91 11.52206 3.299756 41.20187 16.64125 3.91 3.91 190.7660 300.978
111 7.98 11.52206 3.299756 41.20187 16.64125 7.98 7.98 129.3120 239.565
112 24.19 11.52206 3.299756 41.20187 16.64125 24.19 24.19 29.0925 97.214
DV IRES PREDSE Weight IWRES WRES CWRES CdfDV
107 1190 150.05100 NA 9.24648e-07 0.894798 0.969458 0.774626 0
108 535 -128.07000 NA 2.27448e-06 -1.197800 -1.005780 -1.058490 0
109 333 -33.23860 NA 7.45541e-06 -0.562828 1.097100 0.715214 0
110 341 40.02230 NA 1.10390e-05 0.824641 2.422310 1.900750 0
111 273 33.43520 NA 1.74242e-05 0.865522 1.738140 1.235410 0
112 101 3.78598 NA 1.05814e-04 0.241516 2.928410 0.190920 0
ObsName WhichDose nV nCl nCl2 EVID
107 CObs 1 -0.2899613 -0.6951374 0.1706777 0
108 CObs 1 -0.2899613 -0.6951374 0.1706777 0
109 CObs 1 -0.2899613 -0.6951374 0.1706777 0
110 CObs 1 -0.2899613 -0.6951374 0.1706777 0
111 CObs 1 -0.2899613 -0.6951374 0.1706777 0
112 CObs 1 -0.2899613 -0.6951374 0.1706777 0
xposeNlmeModel works with Reset
Code
tail(as.data.frame(xpdb$data$data[[1]]))
Output
Time Code_HPLC Conc MDV ID BLQ formulation Source_code source
139 804 0 5.6195 0 56 0 Alamycin LA 7 Achenbach
140 816 0 4.0915 0 56 0 Alamycin LA 7 Achenbach
141 840 0 1.7267 0 56 0 Alamycin LA 7 Achenbach
142 864 0 1.0392 0 56 0 Alamycin LA 7 Achenbach
143 888 0 1.1260 0 56 0 Alamycin LA 7 Achenbach
144 912 0 0.5380 0 56 0 Alamycin LA 7 Achenbach
ref reset dose_IV dose_IM IM_Abs2 Occasion Bulgaria_Tetravet Dopharma
139 Achenbach 0 0 0 0 1 0 0
140 Achenbach 0 0 0 0 1 0 0
141 Achenbach 0 0 0 0 1 0 0
142 Achenbach 0 0 0 0 1 0 0
143 Achenbach 0 0 0 0 1 0 0
144 Achenbach 0 0 0 0 1 0 0
Norbrook RVC Clarke Achenbach Product Oxyjet_LA Alamycin_LA Liquamycin_LA
139 0 0 0 1 2 0 1 0
140 0 0 0 1 2 0 1 0
141 0 0 0 1 2 0 1 0
142 0 0 0 1 2 0 1 0
143 0 0 0 1 2 0 1 0
144 0 0 0 1 2 0 1 0
BioMycin OxyShot_LA route_of_administration animal calve_adult
139 0 0 IM steer adult
140 0 0 IM steer adult
141 0 0 IM steer adult
142 0 0 IM steer adult
143 0 0 IM steer adult
144 0 0 IM steer adult
code_adult_calve bodyweight health_status milk_meat breed age
139 0 372 healthy meat unknown 99
140 0 372 healthy meat unknown 99
141 0 372 healthy meat unknown 99
142 0 372 healthy meat unknown 99
143 0 372 healthy meat unknown 99
144 0 372 healthy meat unknown 99
days_after_parturition WhichReset TIME Route_of_admin adult_calve
139 99 1 804 1 0
140 99 1 816 1 0
141 99 1 840 1 0
142 99 1 864 1 0
143 99 1 888 1 0
144 99 1 912 1 0
code_health male code_breed V Cl V2 Cl2 V3
139 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
140 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
141 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
142 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
143 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
144 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
Cl3 Ka1 Ka2 Tlag Frapid CMultStdev IVAR TAD
139 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 804 12
140 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 816 24
141 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 840 48
142 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 864 72
143 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 888 96
144 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 912 120
PRED IPRED DV IRES PREDSE Weight IWRES
139 4.841470 4.841470 5.6195 0.77802600 0.3011500 0.00971197 0.72433500
140 3.695800 3.695800 4.0915 0.39569900 0.2370670 0.01655140 0.48092200
141 1.724430 1.724430 1.7267 0.00226608 0.1134390 0.07175780 0.00573459
142 0.912902 0.912902 1.0392 0.12629800 0.0648644 0.21620100 0.55477300
143 0.584959 0.584959 1.1260 0.54104100 0.0476218 0.40184800 3.24006000
144 0.473917 0.473917 0.5380 0.06408320 0.0427401 0.50581200 0.43055600
WRES CWRES PPRED PCWRES CdfPCWRES NPDE CdfDV NPD
139 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
140 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
141 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
142 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
143 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
144 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
WhichDose ObsName nV nCl nV2 nV3 nCl2 nCl3 nKa1 nKa2 nTlag nFrapid EVID
139 2 CObs 0 0 0 0 0 0 0 0 0 0 0
140 2 CObs 0 0 0 0 0 0 0 0 0 0 0
141 2 CObs 0 0 0 0 0 0 0 0 0 0 0
142 2 CObs 0 0 0 0 0 0 0 0 0 0 0
143 2 CObs 0 0 0 0 0 0 0 0 0 0 0
144 2 CObs 0 0 0 0 0 0 0 0 0 0 0
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Certara.Xpose.NLME documentation built on April 3, 2025, 7:45 p.m.
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xposeNlmeModel works with time-based model
Code
tail(as.data.frame(xpdb$data$data[[1]]))
Output
Subject Nom_Time Act_Time Amount Conc Age BodyWeight Gender ID WhichReset
107 16 1 0.47 NA 1190 44 44 male 16 0
108 16 1 0.85 NA 535 44 44 male 16 0
109 16 2 1.95 NA 333 44 44 male 16 0
110 16 4 3.91 NA 341 44 44 male 16 0
111 16 8 7.98 NA 273 44 44 male 16 0
112 16 24 24.19 NA 101 44 44 male 16 0
TIME V Cl V2 Cl2 IVAR TAD PRED IPRED
107 0.47 11.52206 3.299756 41.20187 16.64125 0.47 0.47 899.7170 1039.950
108 0.85 11.52206 3.299756 41.20187 16.64125 0.85 0.85 599.9920 663.070
109 1.95 11.52206 3.299756 41.20187 16.64125 1.95 1.95 286.3000 366.239
110 3.91 11.52206 3.299756 41.20187 16.64125 3.91 3.91 190.7660 300.978
111 7.98 11.52206 3.299756 41.20187 16.64125 7.98 7.98 129.3120 239.565
112 24.19 11.52206 3.299756 41.20187 16.64125 24.19 24.19 29.0925 97.214
DV IRES PREDSE Weight IWRES WRES CWRES CdfDV
107 1190 150.05100 NA 9.24648e-07 0.894798 0.969458 0.774626 0
108 535 -128.07000 NA 2.27448e-06 -1.197800 -1.005780 -1.058490 0
109 333 -33.23860 NA 7.45541e-06 -0.562828 1.097100 0.715214 0
110 341 40.02230 NA 1.10390e-05 0.824641 2.422310 1.900750 0
111 273 33.43520 NA 1.74242e-05 0.865522 1.738140 1.235410 0
112 101 3.78598 NA 1.05814e-04 0.241516 2.928410 0.190920 0
ObsName WhichDose nV nCl nCl2 EVID
107 CObs 1 -0.2899613 -0.6951374 0.1706777 0
108 CObs 1 -0.2899613 -0.6951374 0.1706777 0
109 CObs 1 -0.2899613 -0.6951374 0.1706777 0
110 CObs 1 -0.2899613 -0.6951374 0.1706777 0
111 CObs 1 -0.2899613 -0.6951374 0.1706777 0
112 CObs 1 -0.2899613 -0.6951374 0.1706777 0
xposeNlmeModel works with Reset
Code
tail(as.data.frame(xpdb$data$data[[1]]))
Output
Time Code_HPLC Conc MDV ID BLQ formulation Source_code source
139 804 0 5.6195 0 56 0 Alamycin LA 7 Achenbach
140 816 0 4.0915 0 56 0 Alamycin LA 7 Achenbach
141 840 0 1.7267 0 56 0 Alamycin LA 7 Achenbach
142 864 0 1.0392 0 56 0 Alamycin LA 7 Achenbach
143 888 0 1.1260 0 56 0 Alamycin LA 7 Achenbach
144 912 0 0.5380 0 56 0 Alamycin LA 7 Achenbach
ref reset dose_IV dose_IM IM_Abs2 Occasion Bulgaria_Tetravet Dopharma
139 Achenbach 0 0 0 0 1 0 0
140 Achenbach 0 0 0 0 1 0 0
141 Achenbach 0 0 0 0 1 0 0
142 Achenbach 0 0 0 0 1 0 0
143 Achenbach 0 0 0 0 1 0 0
144 Achenbach 0 0 0 0 1 0 0
Norbrook RVC Clarke Achenbach Product Oxyjet_LA Alamycin_LA Liquamycin_LA
139 0 0 0 1 2 0 1 0
140 0 0 0 1 2 0 1 0
141 0 0 0 1 2 0 1 0
142 0 0 0 1 2 0 1 0
143 0 0 0 1 2 0 1 0
144 0 0 0 1 2 0 1 0
BioMycin OxyShot_LA route_of_administration animal calve_adult
139 0 0 IM steer adult
140 0 0 IM steer adult
141 0 0 IM steer adult
142 0 0 IM steer adult
143 0 0 IM steer adult
144 0 0 IM steer adult
code_adult_calve bodyweight health_status milk_meat breed age
139 0 372 healthy meat unknown 99
140 0 372 healthy meat unknown 99
141 0 372 healthy meat unknown 99
142 0 372 healthy meat unknown 99
143 0 372 healthy meat unknown 99
144 0 372 healthy meat unknown 99
days_after_parturition WhichReset TIME Route_of_admin adult_calve
139 99 1 804 1 0
140 99 1 816 1 0
141 99 1 840 1 0
142 99 1 864 1 0
143 99 1 888 1 0
144 99 1 912 1 0
code_health male code_breed V Cl V2 Cl2 V3
139 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
140 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
141 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
142 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
143 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
144 0 1 1 2.271202 -2.465639 16.71479 2.03722 9501.875
Cl3 Ka1 Ka2 Tlag Frapid CMultStdev IVAR TAD
139 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 804 12
140 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 816 24
141 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 840 48
142 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 864 72
143 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 888 96
144 4.186472 0.05640392 1.565393e-05 55.78987 0.01772041 0.2207791 912 120
PRED IPRED DV IRES PREDSE Weight IWRES
139 4.841470 4.841470 5.6195 0.77802600 0.3011500 0.00971197 0.72433500
140 3.695800 3.695800 4.0915 0.39569900 0.2370670 0.01655140 0.48092200
141 1.724430 1.724430 1.7267 0.00226608 0.1134390 0.07175780 0.00573459
142 0.912902 0.912902 1.0392 0.12629800 0.0648644 0.21620100 0.55477300
143 0.584959 0.584959 1.1260 0.54104100 0.0476218 0.40184800 3.24006000
144 0.473917 0.473917 0.5380 0.06408320 0.0427401 0.50581200 0.43055600
WRES CWRES PPRED PCWRES CdfPCWRES NPDE CdfDV NPD
139 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
140 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
141 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
142 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
143 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
144 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151 3.3e-151
WhichDose ObsName nV nCl nV2 nV3 nCl2 nCl3 nKa1 nKa2 nTlag nFrapid EVID
139 2 CObs 0 0 0 0 0 0 0 0 0 0 0
140 2 CObs 0 0 0 0 0 0 0 0 0 0 0
141 2 CObs 0 0 0 0 0 0 0 0 0 0 0
142 2 CObs 0 0 0 0 0 0 0 0 0 0 0
143 2 CObs 0 0 0 0 0 0 0 0 0 0 0
144 2 CObs 0 0 0 0 0 0 0 0 0 0 0
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