Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94a239e41d3af1302d0c0d9434f065bd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.454,
"b": 107.176,
"c": 174.190,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.650,2.880],
"number_observations": 191654,
"number_observations_unique": 28141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
"refln_shells": [
{
"resolution_limits": [3.040,2.880],
"number_observations": 26453,
"number_observations_unique": 4027,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.262
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.578
}
]
},
{
"resolution_limits": [46.650,9.110],
"number_observations": 6180,
"number_observations_unique": 1005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}