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docs(README.md): update usage instructions
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Updates the rEADME to accurately reflect the new `--control` flag.
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rbpatt2019 committed Jan 21, 2022
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Expand Up @@ -131,18 +131,14 @@ namely:
- group (_ie._ lean vs obese)
- Tissue (_ie._ heart)

Additionally,
"group" should be binary -
that is,
there should only be two categories -
and the order for fold change calculation must be specified with
`--order Cond1 Cond2`.
Fold Change will always be calculated as {math}`Cond1 / Cond2`.
The order for fold change calculation must be specified with
`--control CONTROL`.
Fold Change will always be calculated by dividing all other condtions by `control`.

These rows should be in the first {math}`n` rows of your data file,
where n is specified with the option ``--n-rows-metadata``.
where n is specified with the option `--n-rows-metadata`.
You can name these metadata rows whatever you want in the data file,
and tell ``lta`` where to find them with the appropriate flags.
and tell `lta` where to find them with the appropriate flags.
Please see the section on [customising your run](customising).
However,
if these data are not present,
Expand Down Expand Up @@ -179,7 +175,7 @@ it will likely look a bit more like:
```shell
lta --n-rows-metadata 11 \
--group Group \
--order obse lean \
--control lean \
--tissue Compartment \
--sample-id mouse
```
Expand Down Expand Up @@ -234,21 +230,18 @@ we also need to know the number of lines in your column metadata.
This is specified with ``--n-rows-metadata``.
Please the section on [expected data file structure](data) for more information.

For the fold-change calculation in ENFC to make any sense,
we need to know which group in ``group`` is which.
You can specify this using the ``--order`` option like so:
The error-normalised fold change (ENFC) calculation must know the labels for
experimental and control group.
Without this knowledge,
the concept of fold change is meaningless.
To specify, pass ``--control control``.
Every condition specified in ``group`` will then be divided by ``control``
to calculate the ENFC for all conditions.

```shell
lta data results --order obese lean
lta data results --control lean
```

The first word following order will be treated as the experimental group,
while the second word will be treated as the control group.
In this example then,
fold-change would be give as {math}`obese / lean`.
If you don't specify,
this defaults to {math}`experimental / control`.

(configuration)=

#### Configuration files
Expand Down Expand Up @@ -286,17 +279,22 @@ so be sure to either back up your data,
or pass a different output folder!
```

The output folder will contain 5 file.
The output folder will contain 3 files and a directory.
For each type of lipid, you should see the following:

1. ``enfc_individual_lipids.csv`` - the ENFC results for each lipid.
1. ``enfc_lipid_classes.csv`` - the mean and St.Dev. of ENFC, grouped by lipid class.
1. ``switch_individual_lipid.csv`` - a table of lipids and their A/B/U/N classification.
1. ``switch_lipid_classes.csv`` - a table counting the frequency of each lipid class within the A/B/U/N classification.
1. ``jaccard_similarity.csv`` - the Jaccard similarity and p-value for each lipid class.
1. `switch_individual_lipid.csv` - a table of lipids and their A/B/U/N classification.
1. `switch_lipid_classes.csv` - a table counting the frequency of each lipid class within the A/B/U/N classification.
1. `jaccard_similarity.csv` - the Jaccard similarity and p-value for each lipid class.
1. `enfc` - a folder containing the ENFC results.

Within the ENFC folder,
you should see 2 files per group:

1. ``GROUP_by_CONTROL_individual_lipids.csv`` - the ENFC results for each lipid.
1. ``GROUP_by_CONTROL_lipid_classes.csv`` - the mean and St.Dev. of ENFC, grouped by lipid class.

A few notes!
Fold change will **always** be {math}`order[0] / order[1]`.
Fold change will **always** be {math}`group / control`.
The Jaccard similarities are calculated between conditions specified in ``--group``
across both tissues and lipid classes.
The p-values for these similarities are calculated using the method outlined by
Expand Down Expand Up @@ -325,6 +323,8 @@ respectful environment.
## Future Developments

- [x] Improve Github actions to use caching for poetry and Nox
- [x] Allow for multiple ENFC calculations in 1 run
- [ ] Provide example configuration and data
- [ ] Increase test coverage
- [ ] Automate plotting

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