Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9510d6d213ce595c02b3a946a7b243a8",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 45.706,
"b": 63.581,
"c": 105.643,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [105.64,1.89],
"number_observations": 289020,
"number_observations_unique": 25434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.99,1.89],
"number_observations": 33830,
"number_observations_unique": 3666,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.677
},
{
"type": "R(meas)",
"value": 3.903
},
{
"type": "R(pim)",
"value": 1.285
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Redundancy",
"value": 9.2
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
}
]
}