Drawing predictions

Sometimes it would be useful to see what DIALS thinks are the reflections on an image - this is easily achieved by indexing the data then asking to have the reflection profiles generated, then predicting, then plotting the predictions as follows - from indexing get an experiments file and indexed reflections, then:

Graemes-MacBook-Pro-2:index graeme$ dials.create_profile_model 15_experiments.json 15_indexed.pickle 

The following parameters have been modified:

input {

  experiments = 15_experiments.json

  reflections = 15_indexed.pickle

}

Removed invalid coordinates, 2513 remaining................................0.00s

Sigma B: 0.030353

Sigma M: 0.048908

Wrote experiments to experiments_with_profile_model.json...................0.01s

followed by:

Graemes-MacBook-Pro-2:index graeme$ dials.predict experiments_with_profile_model.json 

The following parameters have been modified:

input {

  experiments = experiments_with_profile_model.json

}

Saved 7392 reflections to predicted.pickle.................................0.01s

and finally:

dials.image_viewer 14_datablock.json predicted.pickle

Job done - you can now see the reflections! This will allow you to look to see that the reflection model matches the observed spots.