Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b48b0b39fc020514c0b62dffe5aadedc",
"space_group_name": "P 63",
"unit_cell": {
"a": 149.900,
"b": 149.900,
"c": 112.357,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91265],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [129.820,2.330],
"number_observations": 627419,
"number_observations_unique": 61494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.330],
"number_observations": 88459,
"number_observations_unique": 8955,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.145
},
{
"type": "R(meas)",
"value": 2.263
},
{
"type": "R(pim)",
"value": 0.716
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [129.820,7.360],
"number_observations": 18297,
"number_observations_unique": 2020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}