Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5f6a783fb011b921539dc2b814fb3ec6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.918,
"b": 101.668,
"c": 146.427,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11596],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.810,1.850],
"number_observations": 368107,
"number_observations_unique": 56639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 23591,
"number_observations_unique": 3472,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.382
},
{
"type": "R(meas)",
"value": 3.659
},
{
"type": "R(pim)",
"value": 1.387
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [48.810,9.060],
"number_observations": 3487,
"number_observations_unique": 583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}