Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68648bbd785e17ff203f4946c5d82941",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.999,
"b": 98.192,
"c": 143.180,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.55,2.260],
"number_observations_unique": 52254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.260],
"number_observations": 29714,
"number_observations_unique": 4312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.763
},
{
"type": "R(meas)",
"value": 0.824
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [29.530,9.310],
"number_observations": 4849,
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}