Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9db8bce1dff8027397d0b4f366b7de5d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.309,
"b": 65.849,
"c": 78.912,
"alpha": 90.00,
"beta": 99.93,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.88,2.63],
"number_observations": 139076,
"number_observations_unique": 19995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.68,2.63],
"number_observations": 6593,
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.747
},
{
"type": "R(meas)",
"value": 4.040
},
{
"type": "R(pim)",
"value": 1.501
},
{
"type": "I/SigI",
"value": 0.4
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.346
}
]
}
]
}