Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1976884d20cc0c8b9d90c29c694b29c7",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 39.279,
"b": 81.597,
"c": 86.630,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.468,2.30],
"number_observations_unique": 12984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.38,2.30],
"number_observations_unique": 1242,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.475
},
{
"type": "R(meas)",
"value": 1.636
},
{
"type": "R(pim)",
"value": 0.699
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.557
}
]
}
]
}