Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "867b53ee86b35fb21b117ec227218ca5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 142.049,
"b": 64.590,
"c": 115.960,
"alpha": 90.00,
"beta": 103.09,
"gamma": 90.00
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.180,2.430],
"number_observations": 136588,
"number_observations_unique": 38471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.430],
"number_observations": 13807,
"number_observations_unique": 4009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [69.180,9.110],
"number_observations": 2792,
"number_observations_unique": 797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}