Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6020c428b5db7369dbe1b6f5c96c7ee1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.18,
"b": 83.63,
"c": 217.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.780,2.850],
"number_observations": 146700,
"number_observations_unique": 24328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.365
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 21908,
"number_observations_unique": 3469,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.847
},
{
"type": "R(meas)",
"value": 2.015
},
{
"type": "R(pim)",
"value": 0.794
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.391
}
]
},
{
"resolution_limits": [54.780,9.010],
"number_observations": 4564,
"number_observations_unique": 877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
}
]
}