add autoRg

[dsclassen]

so uninterested users can run BilboMD without thinking.

[dsclassen]

So autoRG from RAW adds this "HEADER" information at the bottom of the file:

### HEADER:
#
#{
#    "analysis": {
#        "guinier": {
#            "I0": "46.28524042231512",
#            "I0_autorg_err": -1,
#            "I0_err": 0.21348070639897057,
#            "I0_est_err": 0.06504496469994685,
#            "I0_fit_err": 0.21348070639897057,
#            "Rg": "31.320635958017128",
#            "Rg_autorg_err": -1,
#            "Rg_err": 0.18516712577913863,
#            "Rg_est_err": 0.07669747287296173,
#            "Rg_fit_err": 0.18516712577913863,
#            "nEnd": 64,
#            "nStart": 9,
#            "qEnd": "0.0413",
#            "qRg_max": "1.2936049063380233",
#            "qRg_min": "0.42063614091617",
#            "qStart": "0.01343",
#            "rsq": "0.9909284920737389"
#        },

This information could be very useful for defining Rg-Min and RG-Max.

[dsclassen]

talked to Daniel. He suggested trying autorg from ATSAS package. If you output as a Space Sep Values then it seems pretty easy to parse:

$autorg Tbg_VSG_final_for_Alex.dat -o output.ssv -f ssv

$cat output.ssv 
47.0037 0.829443 1.29754e-07 2.31301e-10 1 20 0.870274 0 Tbg_VSG_final_for_Alex.dat