Command-line tool#
clop#
Group command.
clop [OPTIONS] COMMAND [ARGS]...
Options
- --version#
Show the version and exit.
eq1#
Model Kd dependence on pH.
clop eq1 [OPTIONS] KD1 PKA PH
Arguments
- KD1#
Required argument
- PKA#
Required argument
- PH#
Required argument
fit-titration#
Fit Titration group command.
fit-titration [OPTIONS] COMMAND [ARGS]...
Options
- --version#
Show the version and exit.
- -v, --verbose#
Verbosity of messages.
- -o, --out <out>#
Output folder.
- --is-ph, --no-is-ph#
Concentrations are pH.
- Default:
True
glob#
Update old glob fit of multiple datasets.
fit-titration glob [OPTIONS] FILE
Options
- -b, --boot <boot>#
Number of booting iterations.
- --weight, --no-weight#
Use residue weights.
- Default:
True
Arguments
- FILE#
Required argument
spec#
Update old svd or band fit of titration spectra.
fit-titration spec [OPTIONS] CSV_F NOTE_F
Options
- -b, --band <band>#
Integration interval from <1> to <2>
Arguments
- CSV_F#
Required argument
- NOTE_F#
Required argument
ppr#
Parse Plate Reader ppr group command.
ppr [OPTIONS] COMMAND [ARGS]...
Options
- --version#
Show the version and exit.
- -v, --verbose#
Verbosity of messages.
- -o, --out <out>#
Output folder.
enspire#
Save spectra as csv tables from EnSpire xls file.
ppr enspire [OPTIONS] CSV_F [NOTE_F]
Options
- -b <bands>#
Label and band interval (format: LABEL LOWER UPPER)
Arguments
- CSV_F#
Required argument
- NOTE_F#
Optional argument
tecan#
Convert a list of Tecan-exported excel files into titrations.
LIST_FILE : List of Tecan files and concentration values.
Saves titrations as .dat files and fits all wells using 2 labels. The function produces:
K plot
csv tables for all labelblocks and global fittings.
Note: Buffer is always subtracted if scheme indicates buffer well positions.
ppr tecan [OPTIONS] LIST_FILE
Options
- --cl <cl>#
Cl titration: [Cl] (mM) of added aliquots.
- --bg#
Subtract buffer (from scheme.txt).
- --bg-adj#
Adjust bg to avoid negative value.
- --dil#
Apply dilution correction.
- --nrm#
Normalize using metadata.
- --bg-mth <bg_mth>#
Method for bg.
- Default:
'mean'
- --sch <sch>#
Plate scheme (buffers CTRs).
- --add <add>#
Initial volume and additions.
- --all#
Export (fit) all data combinations.
- --lim <lim>#
Range MIN, MAX of plot_K.
- -t, --title <title>#
Title for plots.
- --fit, --no-fit#
Perform also fit.
- Default:
True
- --png, --no-png#
Export png files.
- Default:
True
- --mcmc, --no-mcmc#
Run MCMC sampling.
- Default:
False
Arguments
- LIST_FILE#
Required argument
note_to_csv#
Convert a tab-separated data file into a CSV file.
note_to_csv [OPTIONS] NOTE
Options
- -o, --output <output>#
Output CSV file.
- -l, --labels <labels>#
Labels to be appended.
- -t, --temp <temp>#
Temperature to be appended.
Arguments
- NOTE#
Required argument