Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8a844d5967826cf6ab342ebe441f47f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 167.86,
"b": 46.14,
"c": 38.31,
"alpha": 90.00,
"beta": 99.42,
"gamma": 90.00
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.450,2.210],
"number_observations": 99947,
"number_observations_unique": 14298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.210],
"number_observations": 8094,
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.854
},
{
"type": "R(meas)",
"value": 0.926
},
{
"type": "R(pim)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [44.450,9.120],
"number_observations": 1502,
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}