Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4983fea86f494db8dc6645788a4b6749",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.705,
"b": 98.485,
"c": 126.860,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.80000,1.80000,5.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.04],
"number_observations_unique": 397623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 19.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.5
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [1.07,1.04],
"number_observations_unique": 29097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [2.32,2.20],
"number_observations_unique": 5756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 93.5
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.57
}
]
}
]
}