Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "510cf99583f5ea5d12af67121d81cbf3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.366,
"b": 56.470,
"c": 101.681,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.060,3.440],
"number_observations": 25683,
"number_observations_unique": 4520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [3.530,3.440],
"number_observations": 1536,
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [29.060,15.380],
"number_observations": 326,
"number_observations_unique": 64,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}