Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9bb77bf132ac79504628fd62b0a50392",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 70.14,
"b": 89.30,
"c": 97.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.530,2.220],
"number_observations": 193504,
"number_observations_unique": 15465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.220],
"number_observations": 14264,
"number_observations_unique": 1128,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.173
},
{
"type": "R(meas)",
"value": 1.223
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.668
}
]
},
{
"resolution_limits": [30.530,9.930],
"number_observations": 1589,
"number_observations_unique": 194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}