Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "37ebc22a7925dce3180ce3a3041eca49",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.36,
"b": 81.36,
"c": 135.03,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.010,2.280],
"number_observations": 465960,
"number_observations_unique": 24254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.280],
"number_observations": 35311,
"number_observations_unique": 1755,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.630
},
{
"type": "R(meas)",
"value": 1.672
},
{
"type": "R(pim)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [27.010,10.200],
"number_observations": 3507,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.800
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}