Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e97c9fdfe0daf2517eb4b331beb3601e",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 50.484,
"b": 50.484,
"c": 154.218,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.400,1.960],
"number_observations": 122070,
"number_observations_unique": 15208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 9164,
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.175
},
{
"type": "R(meas)",
"value": 2.320
},
{
"type": "R(pim)",
"value": 0.799
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.551
}
]
},
{
"resolution_limits": [51.400,8.770],
"number_observations": 1538,
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 43.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}