Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e825e9bdb1da6ee906df86aa599dbba",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.82,
"b": 89.43,
"c": 100.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.510,1.650],
"number_observations": 456460,
"number_observations_unique": 35867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 28044,
"number_observations_unique": 2624,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.843
},
{
"type": "R(meas)",
"value": 1.937
},
{
"type": "R(pim)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.527
}
]
},
{
"resolution_limits": [29.510,7.380],
"number_observations": 4467,
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}