Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b341dd5983607e9ee43a2aadbe7e7457",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.455,
"b": 189.429,
"c": 95.422,
"alpha": 90.000,
"beta": 107.324,
"gamma": 90.000
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.90],
"number_observations_unique": 54340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
"refln_shells": [
{
"resolution_limits": [2.95,2.90],
"number_observations_unique": 2560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 4.21
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
}
]
}