Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70c713aee4c85e48fb4dc8954e0d030c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.934,
"b": 73.112,
"c": 89.706,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.280,1.980],
"number_observations": 447875,
"number_observations_unique": 33253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 30740,
"number_observations_unique": 2312,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.940
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [44.280,9.070],
"number_observations": 5004,
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}