Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef9746d20fb88b35da02504a7159dea9",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 46.582,
"b": 114.158,
"c": 42.478,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.080,1.230],
"number_observations": 412064,
"number_observations_unique": 66200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.230],
"number_observations": 58835,
"number_observations_unique": 9525,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.097
},
{
"type": "R(meas)",
"value": 1.201
},
{
"type": "R(pim)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [57.080,3.900],
"number_observations": 13171,
"number_observations_unique": 2301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}