20180209, 20180213, 20180219, 20180220 pandda rerun prep

• @nick: what set was in spacegroup A and what in sg B? and the datasets you found hits? 
• @jose: split in know sets and rerun pandda there.
1. changed the database and analysis folders: moved nick's original processing to a subfolder inside analysis; renamed the original .pkl file.
2. visit /dls/labxchem/data/2017/lb16978-1/processing/
1. only lb16978-2 selected in the beamline folder
2. 475 crystal folders in analysis/initial_model lifted with xce 
3. compound files: 
1. 455 x 3 compound .cif, .pdb and .png files found
4. using the datasets autoselected as C2: 
1. 108 datasets selected for dimple
1. 107 dimple.pdbs returned
2. x2095 is the starting C2 model 
3. jose left refine-c2-ground-jose.pdb in the reference folder (this is pretty much like smTGR-c2.pdb apart from the waters).
2.  started a pandda "pre-run for ground state" with those 107 datasets
5.  and now, the ones autoselected a/dls/labxchem/data/2017/lb16978-1/processing/references P2 or P21
1. 171 marked for dimple with the P21_orig model
1.  x2064 is the starting from p21_orig
2.  dimple reran with p21_alt model
1.  x2047 is the starting model for p21-alt
6. I moved the ground state effort files so they don't clutter the folders. /dls/labxchem/data/2017/lb16978-1/processing/reference moved to /dls/labxchem/data/2017/lb16978-1/processing/reference/ground-state-model-effort
7. CONCLUSION:
1. from the assessment of the average maps created in the ground state model process, I don't think it's worth modelling a ground state different than what nick had already modelled originally. Yes, it would tweak the waters, but it's just more effort than necessary. Keep the 3 original models to redo pandda: SmTGR-c2.pdb, smTGR-p21-alt.pdb and smTGR-p21-original.pdb. They're the only ones in the reference folder now.
• @all: 16-02 to review pandda rerun with current softwareand others.