Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a60370f6c08bd26245edb882f4ed0e7",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.44,
"b": 59.96,
"c": 79.98,
"alpha": 79.36,
"beta": 81.22,
"gamma": 75.51
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.040,1.630],
"number_observations": 185217,
"number_observations_unique": 104461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 11897,
"number_observations_unique": 7608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.965
},
{
"type": "R(pim)",
"value": 0.681
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.560
}
]
},
{
"resolution_limits": [50.040,7.290],
"number_observations": 2232,
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}