fab
Welcome to FAB (Flash Analysis for Beamtimes)
The purpose of this library is to give users convenient access and analysis tools for the data generated at the Free Electron Laser FLASH.
It abstracs the details of loading the data, that would otherwise require accessing the mutliple hdf5 files generated by the DAQ during the beamtime. It also provides easy access to the Maxwell cluster resoruces, so that parallel computation can be performed efforlessly.
The code repo can be found at: https://gitlab.desy.de/fabiano.lever/flashanalysis/
Installation
If you use fab on the Maxwell cluster, or through the jupyterhub, you can find fab
already installed in the 'flash' kernel (for jhub), or in the flash environment on maxwell.
To activate the envoronment, simply run: module load flash flashenv
in your terminal.
NOTE: If you use vscode to ssh into maxwell, you can select the flash python interpreter
by its path: /software/ps/flash/envs/flash/bin/python
Quickstart
A brief introduction to the ideas behind the module and some info on how to get started. For an even quicker introduction, have a look at the notebooks in the example folder.
In most cases, in order to use fab
, you need to provide a configuration file
specifing the kind of data you want to load, how you want to load it, and additional
parameters on how fab
should behave. Let's have a look at a quick example:
#fab_config.yaml
instruments:
ursa:
delay_set:
__type__: fab.datasources.HDFSource
hdf_key: /zraw/FLASH.SYNC/LASER.LOCK.EXP/F2.PPL.OSC/FMC0.MD22.0.POSITION_SET.WR/dGroup
fillna_method: ffill
GMD:
__type__: fab.datasources.GMD
data_key: /FL2/Photon Diagnostic/GMD/Pulse resolved energy/energy hall
calibration_key: /FL2/Photon Diagnostic/GMD/Average energy/energy hall
eTof:
__type__: fab.datasources.SlicedADC
hdf_key: /FL2/Experiment/MTCA-EXP1/ADQ412 GHz ADC/CH00/TD
offset: 2246
window: 3000
period: 9969.23
t0: 0.153
dt: 0.0005
baseline: 200
dim_names:
- shot_id
- eTof_trace
In this file, we tell fab
that we want to create a new instrument called ursa
, and
that instrument should contain three data variables called delay_set
, GMD
and eTof
.
We are configuring the delay_set
loader to look for data in the hdf5 file table
/zraw/FLASH.SYNC/LASER.LOCK.EXP/F2.PPL.OSC/FMC0.MD22.0.POSITION_SET.WR/dGroup
,
and fill the missing values with the ffill
method (that is, missing values are filled
with the last valid value). To find out the hdf paths for the available data, please
open one of the HDF files with hdfview of similar software, or ask the local contact
of your beamline for help.
The eTof
and 'GMD' values are also loaded from the HDF files, but in this case we
ask fab
for a more sophisticated loading strategy, implemented in the
fab.datasources.SlicedADC
and fab.datasources.GMD
classes. Refer to the fab.datasources
documentation for more info.
We suggest you create a single config file for each beamtime, placing it in the shared folder, so that each participant can use the same configuration.
After we defined what data we want to get, we are now ready to load it:
from fab.magic import config, beamtime, ursa
result = ursa.load(daq_run=43861)
The fab.magic
module attemps to do a few things for you. By importing config, it looks for a
configuration file named fab_config.yaml
(or any file matching the pattern fab_config*.yaml
)
in the current directory or in one of its parents. It uses the first one it finds. The beamtime
import gives access to the beamtime run table created via fabscan
. If you are in a gpfs beamtime
directory, the beamtime number is automatically detected. Otherwise you can specify it as e.g.
beamtime: 11013355
in the config file.
NOTE: The fab.magic
module provides a convenient way to quickly set up the analyis
environment. It makes some assumptions on how you use fab
. If you prefer a more structured
setup or finer control over the configuration process, please refer to the fab.settings
,
fab.instruments
and fab.beamtime
modules.
Finally, the ursa
import instantiates the instrument we defined in the config file, which we can
then use to load the data. Calling load
with no arguments will load all available data.
To access the data, we can simply use:
result.delay_set
result.eTof
Depending on the size of the data, the data will be already in RAM or it will be represented by
a lazy dask.array
object. You can force the data to be preloaded in RAM (or force it not to be),
by passing the preload_values
attribute. Please go thorugh the advantages/disadvantages of this
approach by reading the documentation in fab.datasources
, as it might have catastrophic impact on
performance if used incorrectly.
To force the data to be loaded in RAM, we can use the .compute()
method. Please refer to the
documentation xarray and dask for more information. When using fab on one of the maxwell cluster
login nodes, a job will be automatically submitted and the computation will be performed on
the cluster.
Please have a look at the fab.datasources
and fab.instruments
modules for more detailed infomation
about how to configure fab
and tailor it to your needs. The settings
and maxwell
modules
documentation will help you in writing more complex configuration files and in how to customize how
fab to uses the maxwell HPC cluster.
NOTE: You don't need to be on maxwell to use this module. If you have the HDF files on your local
machine, you can configure fab
to loads those files by using the hdf_path
configuration parameter.
fab
will then happpily run on your local machine.
xarray, dask and the Maxwell HPC cluster
xArray
xarray
(shortened to xr
) is a wrapper around numpy arrays that allows labelling data. The data
loaded by the fab
library is returned in the form of xr.DataArray
or xr.Dataset
objects.
This allows easy indexing of the data (label based indexing instead of positional indexing) and
offers many of the analysis functionality of pandas extended to data with more than 2 dimensions.
Please refer to the official documentation of xarray
for more info about the analysis API.
Dask
Dask is a python tools that allows easy parallelization of large tasks that might exceed the resources of a normal workstation. It can be integrated with HPC clusters so that computations happens remotely on the cluster and only the results are returned.
In general, the data contained in the objects loaded by fab
is given as a dask.array
. That
means that all operations and analysis will be computed lazily only when needed. For many tasks,
the computation is triggered automatically when the data needs to be displayed (e.g. when plotting),
so that dask.array
objects can be used in the same way one uses np.ndarray
.
In case you wish to trigger a computation manually, all you have to do is call the .compute()
method on the array:
data = Instrument(instr_dict).load(daq_run=43861) # This is a dataset made up of dask arrays
raw_data = data.compute() # Performs the computation and returns a normal np.array
Please be aware than computing large datasets will be slow and could lead to memory errors. If working with large datasets, it's best to do all the analysis on the lazy arrays and compute the reuslt at the end only after the data has been reduced. This way the computation happens in a parallelized manner on the cluster and only the reduced final result is loaded in memory.
#DO THIS:
data = Instrument(instr_dict).load(daq_run=43861)
mean = data.mean(dim='train_id').compute()
#DONT DO THIS:
data = Instrument(instr_dict).load(daq_run=43861)
mean = data.compute().mean(dim='train_id')
Note that plotting a dask array will automatically trigger the computation, so you don't need to
call .compute()
before plotting.
You can perform multiple computation in one call by passing a list of arrays to the compute
method.
This will speed up the calculation as the scheduler will load the underling data only once (as
opposed to loading it multiple times if you call compute
on each array).
import dask
from fab.magic import config, beamtime, your_instrument
data = your_instrument.load(daq_run=43861)
mean, std = data.mean(dim='train_id'), data.std(dim='train_id')
mean, std = dask.compute(mean, std)
The Maxwell cluster
Most of the analyis of FLASH data is done on the maxwell cluster. If the fab
module detects
that the program is running on one of Maxwell's login nodes, such as max-display
, it autmatically
configures dask to start a dask.distributed
scheduler that runs jobs on the Maxwell cluster.
This way, you don't need to do anything to run your computations efficiently and in parallel on the Maxwell cluster. Just connect to a display node and import fab. The jobs will be automatically sent to the cluster. In order to configure the automatic setup (e..g. which maxwell partition to use, or to specify harwdare requirements) have a look at the configuration section.
1''' 2# Welcome to FAB (Flash Analysis for Beamtimes) 3 4The purpose of this library is to give users convenient access and analysis 5tools for the data generated at the Free Electron Laser FLASH. 6 7It abstracs the details of loading the data, that would otherwise require 8accessing the mutliple hdf5 files generated by the DAQ during the beamtime. 9It also provides easy access to the Maxwell cluster resoruces, so that parallel 10computation can be performed efforlessly. 11 12The code repo can be found at: https://gitlab.desy.de/fabiano.lever/flashanalysis/ 13 14 15# Installation 16If you use fab on the Maxwell cluster, or through the jupyterhub, you can find fab 17already installed in the 'flash' kernel (for jhub), or in the flash environment on maxwell. 18To activate the envoronment, simply run: `module load flash flashenv` in your terminal. 19 20NOTE: If you use vscode to ssh into maxwell, you can select the flash python interpreter 21by its path: `/software/ps/flash/envs/flash/bin/python` 22 23# Quickstart 24A brief introduction to the ideas behind the module and some info on how to get started. 25For an even quicker introduction, have a look at the notebooks in the example folder. 26 27In most cases, in order to use `fab`, you need to provide a configuration file 28specifing the kind of data you want to load, how you want to load it, and additional 29parameters on how `fab` should behave. Let's have a look at a quick example: 30 31```yaml 32#fab_config.yaml 33 34instruments: 35 ursa: 36 delay_set: 37 __type__: fab.datasources.HDFSource 38 hdf_key: /zraw/FLASH.SYNC/LASER.LOCK.EXP/F2.PPL.OSC/FMC0.MD22.0.POSITION_SET.WR/dGroup 39 fillna_method: ffill 40 GMD: 41 __type__: fab.datasources.GMD 42 data_key: /FL2/Photon Diagnostic/GMD/Pulse resolved energy/energy hall 43 calibration_key: /FL2/Photon Diagnostic/GMD/Average energy/energy hall 44 eTof: 45 __type__: fab.datasources.SlicedADC 46 hdf_key: /FL2/Experiment/MTCA-EXP1/ADQ412 GHz ADC/CH00/TD 47 offset: 2246 48 window: 3000 49 period: 9969.23 50 t0: 0.153 51 dt: 0.0005 52 baseline: 200 53 dim_names: 54 - shot_id 55 - eTof_trace 56 57``` 58 59In this file, we tell `fab` that we want to create a new instrument called `ursa`, and 60that instrument should contain three data variables called `delay_set`, `GMD` 61and `eTof`. 62 63We are configuring the `delay_set` loader to look for data in the hdf5 file table 64`/zraw/FLASH.SYNC/LASER.LOCK.EXP/F2.PPL.OSC/FMC0.MD22.0.POSITION_SET.WR/dGroup`, 65and fill the missing values with the `ffill` method (that is, missing values are filled 66with the last valid value). To find out the hdf paths for the available data, please 67open one of the HDF files with hdfview of similar software, or ask the local contact 68of your beamline for help. 69 70The `eTof` and 'GMD' values are also loaded from the HDF files, but in this case we 71ask `fab` for a more sophisticated loading strategy, implemented in the 72`fab.datasources.SlicedADC` and `fab.datasources.GMD` classes. Refer to the `fab.datasources` 73documentation for more info. 74 75We suggest you create a single config file for each beamtime, placing it in the shared folder, 76so that each participant can use the same configuration. 77 78After we defined what data we want to get, we are now ready to load it: 79 80```python 81from fab.magic import config, beamtime, ursa 82 83result = ursa.load(daq_run=43861) 84``` 85 86The `fab.magic` module attemps to do a few things for you. By importing config, it looks for a 87configuration file named `fab_config.yaml` (or any file matching the pattern `fab_config*.yaml`) 88in the current directory or in one of its parents. It uses the first one it finds. The beamtime 89import gives access to the beamtime run table created via `fabscan`. If you are in a gpfs beamtime 90directory, the beamtime number is automatically detected. Otherwise you can specify it as e.g. 91`beamtime: 11013355` in the config file. 92 93**NOTE**: The `fab.magic` module provides a convenient way to quickly set up the analyis 94environment. It makes some assumptions on how you use `fab`. If you prefer a more structured 95setup or finer control over the configuration process, please refer to the `fab.settings`, 96`fab.instruments` and `fab.beamtime` modules. 97 98Finally, the `ursa` import instantiates the instrument we defined in the config file, which we can 99then use to load the data. Calling `load` with no arguments will load all available data. 100 101To access the data, we can simply use: 102 103```python 104result.delay_set 105result.eTof 106``` 107 108Depending on the size of the data, the data will be already in RAM or it will be represented by 109a lazy `dask.array` object. You can force the data to be preloaded in RAM (or force it not to be), 110by passing the `preload_values` attribute. Please go thorugh the advantages/disadvantages of this 111approach by reading the documentation in `fab.datasources`, as it might have catastrophic impact on 112performance if used incorrectly. 113To force the data to be loaded in RAM, we can use the `.compute()` method. Please refer to the 114documentation xarray and dask for more information. When using fab on one of the maxwell cluster 115login nodes, a job will be automatically submitted and the computation will be performed on 116the cluster. 117 118Please have a look at the `fab.datasources` and `fab.instruments` modules for more detailed infomation 119about how to configure `fab` and tailor it to your needs. The `settings` and `maxwell` modules 120documentation will help you in writing more complex configuration files and in how to customize how 121fab to uses the maxwell HPC cluster. 122 123**NOTE**: You don't need to be on maxwell to use this module. If you have the HDF files on your local 124machine, you can configure `fab` to loads those files by using the `hdf_path` configuration parameter. 125`fab` will then happpily run on your local machine. 126 127# xarray, dask and the Maxwell HPC cluster 128 129## xArray 130 131`xarray` (shortened to `xr`) is a wrapper around numpy arrays that allows labelling data. The data 132loaded by the `fab` library is returned in the form of `xr.DataArray` or `xr.Dataset` objects. 133This allows easy indexing of the data (label based indexing instead of positional indexing) and 134offers many of the analysis functionality of pandas extended to data with more than 2 dimensions. 135Please refer to the official documentation of `xarray` for more info about the analysis API. 136 137## Dask 138 139Dask is a python tools that allows easy parallelization of large tasks that might exceed the 140resources of a normal workstation. It can be integrated with HPC clusters so that computations 141happens remotely on the cluster and only the results are returned. 142 143In general, the data contained in the objects loaded by `fab` is given as a `dask.array`. That 144means that all operations and analysis will be computed lazily only when needed. For many tasks, 145the computation is triggered automatically when the data needs to be displayed (e.g. when plotting), 146so that `dask.array` objects can be used in the same way one uses `np.ndarray`. 147In case you wish to trigger a computation manually, all you have to do is call the `.compute()` 148method on the array: 149 150```python 151data = Instrument(instr_dict).load(daq_run=43861) # This is a dataset made up of dask arrays 152raw_data = data.compute() # Performs the computation and returns a normal np.array 153``` 154 155Please be aware than computing large datasets will be slow and could lead to memory errors. 156If working with large datasets, it's best to do all the analysis on the lazy arrays and compute 157the reuslt at the end only after the data has been reduced. This way the computation happens 158in a parallelized manner on the cluster and only the reduced final result is loaded in memory. 159 160```python 161#DO THIS: 162data = Instrument(instr_dict).load(daq_run=43861) 163mean = data.mean(dim='train_id').compute() 164 165#DONT DO THIS: 166data = Instrument(instr_dict).load(daq_run=43861) 167mean = data.compute().mean(dim='train_id') 168``` 169 170Note that plotting a dask array will automatically trigger the computation, so you don't need to 171call `.compute()` before plotting. 172 173You can perform multiple computation in one call by passing a list of arrays to the `compute` method. 174This will speed up the calculation as the scheduler will load the underling data only once (as 175opposed to loading it multiple times if you call `compute` on each array). 176 177```python 178import dask 179from fab.magic import config, beamtime, your_instrument 180 181data = your_instrument.load(daq_run=43861) 182mean, std = data.mean(dim='train_id'), data.std(dim='train_id') 183mean, std = dask.compute(mean, std) 184``` 185 186## The Maxwell cluster 187 188Most of the analyis of FLASH data is done on the maxwell cluster. If the `fab` module detects 189that the program is running on one of Maxwell's login nodes, such as `max-display`, it autmatically 190configures dask to start a `dask.distributed` scheduler that runs jobs on the Maxwell cluster. 191 192This way, you don't need to do anything to run your computations efficiently and in parallel 193on the Maxwell cluster. Just connect to a display node and import fab. The jobs will be 194automatically sent to the cluster. In order to configure the automatic setup (e..g. which 195maxwell partition to use, or to specify harwdare requirements) have a look at the configuration 196section. 197''' 198__author__ = "Fabiano Lever" 199#__docformat__ = "google" 200 201__all__ = ['magic', 'instruments', 'datasources', 'settings', 'beamtime', 'maxwell', 'preprocessing'] 202 203from .settings import fab_setup 204from .version import __version__