Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c3f0c87b6c120549ec05f1067676b3f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 176.491,
"b": 50.821,
"c": 193.139,
"alpha": 90.00,
"beta": 111.94,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.89,1.59],
"number_observations": 2933246,
"number_observations_unique": 428168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.59],
"number_observations": 222566,
"number_observations_unique": 31456,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.210
},
{
"type": "R(meas)",
"value": 1.306
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
}
]
}