Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4b21e40d6d96e4d9a35e9467e2290cba",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.23,
"b": 83.23,
"c": 133.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.040,2.120],
"number_observations": 616399,
"number_observations_unique": 30954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.120],
"number_observations": 45620,
"number_observations_unique": 2257,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.645
},
{
"type": "R(meas)",
"value": 1.688
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [36.040,9.480],
"number_observations": 5804,
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 56.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}