Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d179d5931e1bda5eaef3fd863c7a91df",
"space_group_name": "P 1",
"unit_cell": {
"a": 55.657,
"b": 66.414,
"c": 67.582,
"alpha": 101.63,
"beta": 88.82,
"gamma": 111.40
},
"wavelengths": [0.82655],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.081,1.06],
"number_observations_unique": 234949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.3
},
{
"type": "Completeness",
"value": 93.1
},
{
"type": "Redundancy",
"value": 8.5
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [66.081,3.436],
"number_observations_unique": 11747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 51.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.181,1.06],
"number_observations_unique": 11747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 54.9
},
{
"type": "CC(1/2)",
"value": 0.654
}
]
}
]
}