Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e5c395bf23da032efed0d961716feb3",
"space_group_name": "P 1",
"unit_cell": {
"a": 80.99,
"b": 116.40,
"c": 132.14,
"alpha": 83.39,
"beta": 88.73,
"gamma": 89.95
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.190,2.65],
"number_observations_unique": 130991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.650],
"number_observations": 20071,
"number_observations_unique": 6096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "R(meas)",
"value": 0.507
},
{
"type": "R(pim)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [82.190,14.510],
"number_observations": 3196,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}