Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77164c0433e43834ba1814227b7a932c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 120.851,
"b": 70.215,
"c": 70.175,
"alpha": 90.00,
"beta": 102.93,
"gamma": 90.00
},
"wavelengths": [0.98009],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.570,3.020],
"number_observations": 73389,
"number_observations_unique": 10928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [3.190,3.020],
"number_observations": 10093,
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.153
},
{
"type": "R(meas)",
"value": 1.262
},
{
"type": "R(pim)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [50.570,9.560],
"number_observations": 1989,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}