Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0225e0756b7937b52c51cc08711623ca",
"space_group_name": "P 1",
"unit_cell": {
"a": 54.662,
"b": 65.473,
"c": 67.556,
"alpha": 101.23,
"beta": 89.42,
"gamma": 110.83
},
"wavelengths": [0.82650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.744,1.005],
"number_observations_unique": 230080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 94.0
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [49.744,3.428],
"number_observations_unique": 11504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 49.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.171,1.005],
"number_observations_unique": 11504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.987
},
{
"type": "R(meas)",
"value": 1.166
},
{
"type": "R(pim)",
"value": 0.608
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 66.2
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.64
}
]
}
]
}