Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b44181c89bc8de4e9649dacc2a31dae5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.56,
"b": 52.41,
"c": 101.81,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.520,1.710],
"number_observations": 187996,
"number_observations_unique": 29429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.710],
"number_observations": 12948,
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.537
},
{
"type": "R(meas)",
"value": 1.683
},
{
"type": "R(pim)",
"value": 0.679
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.513
}
]
},
{
"resolution_limits": [36.520,7.650],
"number_observations": 2279,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 50.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}