Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea7603e638ca977114cabeed34e70238",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 44.869,
"b": 113.482,
"c": 151.048,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.730,1.650],
"number_observations": 611490,
"number_observations_unique": 46470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 24822,
"number_observations_unique": 2152,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.732
},
{
"type": "R(meas)",
"value": 1.810
},
{
"type": "R(pim)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [90.730,8.900],
"number_observations": 4015,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 40.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}