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Study format

Study format 2 is being introduced

This page describes study format 2. The studies in pkdb_data are still in study format 1 until the migration; pkdb format, pkdb validate, pkdb prepare and pkdb upload all support study format 2 folders.

A study folder in study format 2 contains study.json, reference.json, review.json, the tab-separated tables below, the publication PDF and an image <study>_<source>.png for every paper table or figure the data come from. pkdb format writes all files in canonical form, pkdb validate checks them, and pkdb schema export writes the same definitions as JSON Schema.

Identity and upload

A study is identified by its folder location <substance>/<name>, for example caffeine/Harder1988: the folder name is the study name and its parent folder the substance. The folder names publication and validate are reserved, because PK-DB uses them in study URLs. pkdb upload sends the exact text of study.json and reference.json and every other file of the folder to /api/v2/studies/<substance>/<name>, where the server validates the folder like pkdb validate and stores the study. The study page is /data/<substance>/<name>.

A released study has a PKDB identifier in the release block of study.json. Uploading a folder with a release.pkdb_id takes over the study that PK-DB stores under that identifier and renames it to the folder location, so a moved or renamed folder keeps its study. A folder without one, or whose PKDB identifier no stored study has, takes over the study format 1 study of the same publication and source, if you may edit it. PKDB identifiers and former study format 1 identifiers in URLs, such as /data/PKDB00198 or /data/Vilsboll2008, redirect to the study.

Statistics and schedules

There is no value column. mean is the arithmetic mean, the value of a single subject (count 1) or, with the calculation unspecified summary, the central value of a summary whose statistic the publication does not state. cv and gcv are entered in percent and are fractions in the prepared study and the API. A digitized error_bar with its error_type completes sd, se or gsd; missing sd, se and cv are derived from each other, and gsd and gcv as well, where the reported values allow it, and reported statistics that contradict each other, including an error bar, are a warning that a review item acknowledges at the column of the statistic that disagrees with the most others (see the data model). An intervention time is a number, or a ;-separated list for an irregular schedule; a regular schedule uses interval and doses instead.

Tables

File Content Required
subjects.tsv Groups and individuals. A subject with count 1 is an individual; every subject except all has a parent group. yes
interventions.tsv Interventions such as doses, fasting or smoking, referenced by name from the other tables. no
characteristica.tsv Baseline values of subjects, such as age, weight, sex or creatinine clearance. no
outputs_<source>.tsv Single values after interventions, such as pharmacokinetic parameters, from one paper table or figure. no
timecourses_<source>.tsv Timecourse points from one paper figure or table. Rows with the same label form one series. no
scatters_<source>.tsv Points of scatter plots, one row per point with an x and a y value. no

TSV encoding

  • UTF-8 without byte order mark, LF line endings and a final newline.
  • Tab separated without quoting. Cells contain no tabs or line breaks.
  • One header row with every template column in template order.
  • An empty cell means missing. NR (not reported) is allowed only in time and time_unit and their scatter variants x_time, x_time_unit, y_time and y_time_unit.
  • Numbers use a decimal point and are written in their shortest form.
  • pkdb format sorts the rows and writes the study column and, in files named after a source, the source column.

subjects.tsv

Groups and individuals. A subject with count 1 is an individual; every subject except all has a parent group.

Column Type Required Description
study text no, written by pkdb format Study name, written by pkdb format from the folder name. Do not edit.
name name yes Unique subject name. The root group is all.
parent name no Name of the parent group. Empty only for all.
count whole number no Number of subjects. A count of 1 makes the row an individual; any other count, or an empty cell, makes it a group.
source source no Paper table or figure the row comes from, such as Tab1 or Fig2A, or Text for the article text. Except for Text, the image <study>_<source>.png must exist.
comment text no Free-text comment.

interventions.tsv

Interventions such as doses, fasting or smoking, referenced by name from the other tables.

Column Type Required Description
study text no, written by pkdb format Study name, written by pkdb format from the folder name. Do not edit.
source source no Paper table or figure the row comes from, such as Tab1 or Fig2A, or Text for the article text. Except for Text, the image <study>_<source>.png must exist.
name name yes Unique intervention name, referenced from the interventions columns of other tables.
subjects name no Subject that the dose statistics describe, for body-weight-adjusted doses with sd, min or max. Usually empty.
measurement vocabulary: measurements yes Kind of intervention from the vocabulary, such as dosing, qualitative dosing or fasting.
calculation vocabulary: calculation types no How the central value was obtained, from the vocabulary. unspecified summary marks a central value whose statistic the publication does not state; enter it in mean.
substance vocabulary: substances no Substance from the vocabulary.
tissue vocabulary: tissues no Tissue or matrix from the vocabulary.
method vocabulary: methods no Analytical method from the vocabulary.
choice text no Categorical value of a categorical intervention, such as Y for fasting.
route vocabulary: routes no Administration route from the vocabulary.
form vocabulary: forms no Administration form from the vocabulary.
application vocabulary: applications no Application from the vocabulary, such as single dose.
time number, ;-separated numbers or NR no Time of the first administration in time_unit. An irregular schedule is a ;-separated list such as 0;12;40.
time_end number no End of a continuous administration in time_unit.
interval number no Dosing interval in time_unit.
doses whole number no Number of administrations.
time_unit unit or NR no Unit of time, time_end and interval, or NR when the publication does not report it.
count whole number no Number of subjects the dose statistics describe. Usually empty.
mean number no Dose. A fixed dose is entered as its value, such as 100 with unit mg.
sd number no Standard deviation.
se number no Standard error of the mean.
cv number no Coefficient of variation in percent.
gmean number no Geometric mean.
gsd number no Geometric standard deviation as a dimensionless factor of at least 1.
gcv number no Geometric coefficient of variation in percent.
median number no Median.
min number no Minimum.
max number no Maximum.
unit unit no Unit of mean, sd, se, gmean, median, min, max and error_bar.
error_bar number no Digitized end of an error bar on the value axis, in unit. The statistic named in error_type is derived from it.
error_type one of sd, se, gsd no Statistic the error bar shows: sd, se or gsd.
comment text no Free-text comment.

characteristica.tsv

Baseline values of subjects, such as age, weight, sex or creatinine clearance.

Column Type Required Description
study text no, written by pkdb format Study name, written by pkdb format from the folder name. Do not edit.
source source yes Paper table or figure the row comes from, such as Tab1 or Fig2A, or Text for the article text. Except for Text, the image <study>_<source>.png must exist.
subjects name yes Name of the subject in subjects.tsv that the row describes: a group, or an individual with count 1.
measurement vocabulary: measurements yes Baseline quantity from the vocabulary, such as age, weight or sex.
calculation vocabulary: calculation types no How the central value was obtained, from the vocabulary. unspecified summary marks a central value whose statistic the publication does not state; enter it in mean.
substance vocabulary: substances no Substance from the vocabulary.
tissue vocabulary: tissues no Tissue or matrix from the vocabulary.
method vocabulary: methods no Analytical method from the vocabulary.
choice text no Categorical value of a categorical measurement, such as M for sex.
time number or NR no Time point in time_unit, or NR when the publication does not report it.
time_unit unit or NR no Unit of time, or NR when the publication does not report it.
count whole number no Number of subjects the row describes. Leave empty when it equals the count of the referenced subject. In a choice row, the number of subjects with that choice.
mean number no Arithmetic mean. For a single subject (count 1) and for unspecified summary, the reported value.
sd number no Standard deviation.
se number no Standard error of the mean.
cv number no Coefficient of variation in percent.
gmean number no Geometric mean.
gsd number no Geometric standard deviation as a dimensionless factor of at least 1.
gcv number no Geometric coefficient of variation in percent.
median number no Median.
min number no Minimum.
max number no Maximum.
unit unit no Unit of mean, sd, se, gmean, median, min, max and error_bar.
error_bar number no Digitized end of an error bar on the value axis, in unit. The statistic named in error_type is derived from it.
error_type one of sd, se, gsd no Statistic the error bar shows: sd, se or gsd.
comment text no Free-text comment.

outputs_<source>.tsv

Single values after interventions, such as pharmacokinetic parameters, from one paper table or figure.

Column Type Required Description
study text no, written by pkdb format Study name, written by pkdb format from the folder name. Do not edit.
source source no, written by pkdb format Paper table or figure of the row, written by pkdb format from the file name. Do not edit.
subjects name yes Name of the subject in subjects.tsv that the row describes: a group, or an individual with count 1.
interventions comma-separated names no Comma-separated names of the interventions in interventions.tsv that the subjects received before the measurement. Empty for none.
measurement vocabulary: measurements yes Measured quantity from the vocabulary, such as cmax, auc_inf or thalf.
calculation vocabulary: calculation types no How the central value was obtained, from the vocabulary. unspecified summary marks a central value whose statistic the publication does not state; enter it in mean.
substance vocabulary: substances no Substance from the vocabulary.
tissue vocabulary: tissues no Tissue or matrix from the vocabulary.
method vocabulary: methods no Analytical method from the vocabulary.
choice text no Categorical value of a categorical measurement, such as M for sex.
time number or NR no Time point in time_unit, or NR when the publication does not report it.
time_unit unit or NR no Unit of time, or NR when the publication does not report it.
count whole number no Number of subjects the row describes. Leave empty when it equals the count of the referenced subject. In a choice row, the number of subjects with that choice.
mean number no Arithmetic mean. For a single subject (count 1) and for unspecified summary, the reported value.
sd number no Standard deviation.
se number no Standard error of the mean.
cv number no Coefficient of variation in percent.
gmean number no Geometric mean.
gsd number no Geometric standard deviation as a dimensionless factor of at least 1.
gcv number no Geometric coefficient of variation in percent.
median number no Median.
min number no Minimum.
max number no Maximum.
unit unit no Unit of mean, sd, se, gmean, median, min, max and error_bar.
error_bar number no Digitized end of an error bar on the value axis, in unit. The statistic named in error_type is derived from it.
error_type one of sd, se, gsd no Statistic the error bar shows: sd, se or gsd.
comment text no Free-text comment.

timecourses_<source>.tsv

Timecourse points from one paper figure or table. Rows with the same label form one series.

Column Type Required Description
study text no, written by pkdb format Study name, written by pkdb format from the folder name. Do not edit.
source source no, written by pkdb format Paper table or figure of the row, written by pkdb format from the file name. Do not edit.
label name yes Name of the timecourse. Rows with the same label form one series; labels are unique across the study.
subjects name yes Name of the subject in subjects.tsv that the row describes: a group, or an individual with count 1.
interventions comma-separated names no Comma-separated names of the interventions in interventions.tsv that the subjects received before the measurement. Empty for none.
measurement vocabulary: measurements yes Measured quantity from the vocabulary, such as concentration.
calculation vocabulary: calculation types no How the central value was obtained, from the vocabulary. unspecified summary marks a central value whose statistic the publication does not state; enter it in mean.
substance vocabulary: substances no Substance from the vocabulary.
tissue vocabulary: tissues no Tissue or matrix from the vocabulary.
method vocabulary: methods no Analytical method from the vocabulary.
choice text no Categorical value of a categorical measurement, such as M for sex.
time number or NR yes Time point in time_unit, or NR when the publication does not report it.
time_unit unit or NR yes Unit of time, or NR when the publication does not report it.
count whole number no Number of subjects the row describes. Leave empty when it equals the count of the referenced subject. In a choice row, the number of subjects with that choice.
mean number no Arithmetic mean. For a single subject (count 1) and for unspecified summary, the reported value.
sd number no Standard deviation.
se number no Standard error of the mean.
cv number no Coefficient of variation in percent.
gmean number no Geometric mean.
gsd number no Geometric standard deviation as a dimensionless factor of at least 1.
gcv number no Geometric coefficient of variation in percent.
median number no Median.
min number no Minimum.
max number no Maximum.
unit unit no Unit of mean, sd, se, gmean, median, min, max and error_bar.
error_bar number no Digitized end of an error bar on the value axis, in unit. The statistic named in error_type is derived from it.
error_type one of sd, se, gsd no Statistic the error bar shows: sd, se or gsd.
comment text no Free-text comment.

scatters_<source>.tsv

Points of scatter plots, one row per point with an x and a y value.

Column Type Required Description
study text no, written by pkdb format Study name, written by pkdb format from the folder name. Do not edit.
source source no, written by pkdb format Paper table or figure of the row, written by pkdb format from the file name. Do not edit.
name name yes Name of the scatter dataset, unique across the study.
subjects name yes Subject of the point, usually an individual with count 1. The points of one scatter are all individuals or all groups.
x_interventions comma-separated names no X axis: comma-separated names of the interventions in interventions.tsv that the subjects received before the measurement. Empty for none.
x_measurement vocabulary: measurements yes X axis: measured quantity from the vocabulary, such as cmax, age or weight.
x_substance vocabulary: substances no X axis: substance from the vocabulary.
x_tissue vocabulary: tissues no X axis: tissue or matrix from the vocabulary.
x_method vocabulary: methods no X axis: analytical method from the vocabulary.
x_time number or NR no X axis: time point in x_time_unit, or NR when the publication does not report it.
x_time_unit unit or NR no X axis: unit of x_time, or NR when the publication does not report it.
x_mean number yes X axis: value of the point.
x_unit unit no X axis: unit of the value.
y_interventions comma-separated names no Y axis: comma-separated names of the interventions in interventions.tsv that the subjects received before the measurement. Empty for none.
y_measurement vocabulary: measurements yes Y axis: measured quantity from the vocabulary, such as cmax, age or weight.
y_substance vocabulary: substances no Y axis: substance from the vocabulary.
y_tissue vocabulary: tissues no Y axis: tissue or matrix from the vocabulary.
y_method vocabulary: methods no Y axis: analytical method from the vocabulary.
y_time number or NR no Y axis: time point in y_time_unit, or NR when the publication does not report it.
y_time_unit unit or NR no Y axis: unit of y_time, or NR when the publication does not report it.
y_mean number yes Y axis: value of the point.
y_unit unit no Y axis: unit of the value.
comment text no Free-text comment.