Units: display and scaling

Starting on the 2020 version, PKanalix has a new feature:UNITS.

  • It displays units of the NCA and CA parameters calculated automatically from information provided by a user about units of measurements in a dataset. Units are shown in the results tables, on plots and are added to the saved files to give a physical meaning of the data.
  • It allows for scaling values of a dataset to represent outputs in preferred units, which facilitates the interpretation of the results. Scaling is done in the PKanalix data manager, and does not change the original data file.





PKanalix does not recognize units automatically. To define units correctly, a user needs to know units of the input data in a loaded dataset.

Units definition

Units of the NCA and CA parameters are considered as combinations of units of: time, concentration, amount and volume in case of urine type data. For instance, unit of AUC is [concentration unit * time unit]. These quantities correspond to columns in a typical PK dataset: time of measurements, observed concentration, dose amount and volume of collected urine.

“Units” block has the basic quantities – corresponding to the “input data” – on the left (green frame below). Units, listed on the right in drop-down menus (violet frame),  are considered as output units, that is these units are displayed in results and plots after running the NCA and CA tasks.

Concentration is a complex quantity defined as “amount per volume”. It has two separate units, which are linked (and equal) to AMT and VOLUME respectively. Changing one automatically updated the other one .

Units without data conversion: Output units correspond to units of the input data.

In other words, desired units of the NCA and CA parameters correspond to units of measurements in the dataset. In this case, select from the drop-down menus units of the input data and keep the default scaling factor (equal to one). All calculations are performed using values in the original dataset and selected units are displayed in the results tables and on plots.

Units conversion: output units are different from the units of the input data.

NCA and CA parameters can be calculated and displayed in any units, not necessarily the same as used in the dataset. The scaling factors (by default equal to 1) multiply the corresponding columns in a dataset and transform them to a dataset in new units. PKanalix shows data with new, scaled values. But, this conversion occurs only internally and the original dataset remains unchanged. So, in this case, select desired output units from the list and, knowing units of the input data, scale the original values to the new units. Reminder: a user needs to know the units used in the dataset to select correctly the scaling factor.

For instance, let measurement times in a dataset be in hours. To obtain the outputs in days, set the output time unit as “days” and the scaling factor to 1/24, as shown below. It reads as follows:

(values of time in hours from the dataset) * (1/24) = time in days.

After accepting the scaling, a dataset shown in the Data tab is converted internally to a new data set. It contains original values multiplied by scaling factors. Then, all computations in the NCA and CA tasks are performed using new values, so that the results  correspond to selected units.

Units for the NCA parameters

Rsq no unit
Rsq_adjusted no unit
Corr_XY no unit
No_points_lambda_z no unit
Lambda_z time-1
Lambda_z_lower time
Lambda_z_upper time
HL_lambda_z time
Span no unit
Lambda_z_intercept no unit
T0 time
Tlag time
Tmax_Rate time
Max_Rate amount.time-1
Mid_Pt_last time
Rate_last amount.time-1
Rate_last_pred amount.time-1
AURC_last amount
AURC_last_D no unit
Vol_UR volume
Amount_recovered amount
Percent_recovered %
AURC_all amount
AURC_INF_obs amount
AURC_PerCentExtrap_obs %
AURC_INF_pred amount
AURC_PerCentExtrap_pred %
C0 amount.volume-1
Tmin time
Cmin amount.volume-1
Tmax time
Cmax amount.volume-1
Cmax_D volume-1
Tlast time
Clast amount.volume-1
AUClast time.amount.volume-1
AUClast_D time.volume-1
AUMClast time2.amount.volume-1
AUCall time.amount.volume-1
AUCINF_obs time.amount.volume-1
AUCINF_D_obs time.volume-1
AUCINF_pred time.amount.volume-1
AUCINF_D_pred time.volume-1
AUC_PerCentExtrap_obs %
AUC_PerCentBack_Ext_obs %
AUMCINF_obs time2.amount.volume-1
AUMC_PerCentExtrap_obs %
Vz_F_obs volume
Cl_F_obs volume.time-1
Cl_obs volume.time-1
Cl_pred volume.time-1
Vss_obs volume
Clast_pred amount.volume-1
AUC_PerCentExtrap_pred %
AUC_PerCentBack_Ext_pred %
AUMCINF_pred time2.amount.volume-1
AUMC_PerCentExtrap_pred %
Vz_F_pred volume
Cl_F_pred volume.time-1
Vss_pred volume
Tau time
Ctau amount.volume-1
Ctrough amount.volume-1
AUC_TAU time.amount.volume-1
AUC_TAU_D time.volume-1
AUC_TAU_PerCentExtrap %
AUMC_TAU time2.amount.volume-1
Vz volume
Vz_obs volume
Vz_pred volume
Vz_F volume
CLss_F volume.time-1
CLss volume.time-1
CAvg amount.volume-1
FluctuationPerCent %
FluctuationPerCent_Tau %
Accumulation_index no unit
Swing no unit
Swing_Tau no unit
Dose amount
N_Samples no unit
MRTlast time
MRTINF_obs time
MRTINF_pred time

Units for the PK parameters

Units are available only in PKanalix. When exporting a project to Monolix, values of PK parameters are re-converted to the original dataset unit. Below, volumeFactor is defined implicitly as: volumeFactor=amtFactor/concFacto, where “factor” is the scaling factor used in the “Units” block in the Data tab.

PARAMETER UNIT INVERSE of UNITS
V (V1, V2, V3) volume value/volumeFactor
k (ka, k12, k21, k31, k13, Ktr) 1/time value*timeFactor
Cl, Q (Q2, Q3) volume/time value*timeFactor/volumeFactor
Vm amount/time value*timeFactor/amountFactor
Km concentration value/concFactor
T (Tk0, Tlag, Mtt) time value/timeFactor
alpha, beta, gamma 1/time value*timeFactor
A, B, C 1/volume value*volumeFactor

 

Units display

To visualise units, switch on the “units toggle” and accept a dataset. Then, after running the NCA and CA tasks, units are displayed:

  • In the results table next to the parameter name (violet frame), in the table copied with “copy” button (blue frame) and in the saved .txt files in the result folder (green frame).

  • On plots if the “units” display is switched on in the General plots settings