Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db65d39fe4e0cb2ce3399dea60a53da1",
"space_group_name": "C 2 2 2",
"unit_cell": {
"a": 69.920,
"b": 148.624,
"c": 55.893,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95360],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.270,2.230],
"number_observations": 183624,
"number_observations_unique": 14586,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.086
},
{
"type": "R(meas)",
"value": 1.146
},
{
"type": "R(pim)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.644
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.230],
"number_observations": 12701,
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.663
},
{
"type": "R(meas)",
"value": 7.277
},
{
"type": "R(pim)",
"value": 2.708
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.419
}
]
},
{
"resolution_limits": [63.270,8.920],
"number_observations": 3218,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}