Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12e8e4b2651d3cacd93741f209572f57",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 51.801,
"b": 83.250,
"c": 126.605,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.990,1.220],
"number_observations_unique": 157260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.220],
"number_observations": 63122,
"number_observations_unique": 5962,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.051
},
{
"type": "R(meas)",
"value": 2.158
},
{
"type": "R(pim)",
"value": 0.660
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.614
}
]
},
{
"resolution_limits": [43.990,5.460],
"number_observations": 12369,
"number_observations_unique": 1021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}