Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0ddf24f3d2494b9e3141339a2cf9f29",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 187.378,
"b": 187.378,
"c": 132.533,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.8440,4.200],
"number_observations_unique": 19952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [4.600,4.200],
"number_observations": 89611,
"number_observations_unique": 4703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "R(meas)",
"value": 1.017
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [46.840,10.290],
"number_observations": 26826,
"number_observations_unique": 1442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 18.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}