Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f97a3ecf7b7e0a3810c432567a0ca92",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.679,
"b": 79.681,
"c": 149.603,
"alpha": 90.00,
"beta": 93.45,
"gamma": 90.00
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.830,2.800],
"number_observations": 163344,
"number_observations_unique": 49092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
"refln_shells": [
{
"resolution_limits": [2.890,2.800],
"number_observations": 15548,
"number_observations_unique": 4507,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.317
},
{
"type": "R(meas)",
"value": 1.562
},
{
"type": "R(pim)",
"value": 0.833
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.317
}
]
},
{
"resolution_limits": [34.830,11.200],
"number_observations": 2574,
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}