Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d9e040b00d8e55354c26fa477884f4e6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 81.16,
"b": 86.45,
"c": 107.18,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.700,1.900],
"number_observations": 646983,
"number_observations_unique": 60147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 37121,
"number_observations_unique": 3842,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.574
},
{
"type": "R(pim)",
"value": 0.866
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [64.700,9.110],
"number_observations": 6522,
"number_observations_unique": 639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
}
]
}