Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "414bfea3baa004d86c94fc60400f77c8",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.735,
"b": 42.735,
"c": 217.039,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.260,1.540],
"number_observations": 624381,
"number_observations_unique": 31371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.540],
"number_observations": 78019,
"number_observations_unique": 4435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 21.766
},
{
"type": "R(pim)",
"value": 5.048
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.600
},
{
"type": "CC(1/2)",
"value": 0.665
}
]
},
{
"resolution_limits": [54.260,4.860],
"number_observations": 19470,
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 16.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}