Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1e82b13dbbe0e334659c9235f9f3b88",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 50.818,
"b": 83.836,
"c": 95.965,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.983,2.500],
"number_observations_unique": 14791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations_unique": 1617,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.263
},
{
"type": "R(meas)",
"value": 1.373
},
{
"type": "R(pim)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [47.983,9.010],
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}