Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7ed1e3ef27fcfb4ae430f69fd59519dd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.012,
"b": 96.298,
"c": 127.330,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.81,2.70],
"number_observations": 211631,
"number_observations_unique": 16014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.84,2.70],
"number_observations": 30397,
"number_observations_unique": 2321,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.901
},
{
"type": "R(meas)",
"value": 3.019
},
{
"type": "R(pim)",
"value": 0.826
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
}
]
}