Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1430d2240cc44545d23b35f5a8806092",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.14,
"b": 116.57,
"c": 122.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97932],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.920,2.250],
"number_observations_unique": 55100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 29752,
"number_observations_unique": 4008,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.602
},
{
"type": "R(meas)",
"value": 2.797
},
{
"type": "R(pim)",
"value": 1.017
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.317
}
]
},
{
"resolution_limits": [37.890,10.060],
"number_observations": 4298,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}