Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbfa5998d00199d0455d866cd99f1b02",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 30.556,
"b": 74.943,
"c": 53.083,
"alpha": 90.00,
"beta": 104.92,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.470,1.630],
"number_observations": 46448,
"number_observations_unique": 14298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.630],
"number_observations": 13459,
"number_observations_unique": 4038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "R(pim)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [37.470,3.640],
"number_observations": 4222,
"number_observations_unique": 1308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}