Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6cd48989bec9ea9552b5fbe1eb1a490a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.010,
"b": 64.102,
"c": 72.383,
"alpha": 90.00,
"beta": 117.64,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.580,2.100],
"number_observations": 101234,
"number_observations_unique": 21487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 8533,
"number_observations_unique": 1778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.723
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [46.580,8.910],
"number_observations": 1404,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}