Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "585a3c0c35cc8c93f0fca785db170d56",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.611,
"b": 89.676,
"c": 90.650,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.650,2.330],
"number_observations": 188764,
"number_observations_unique": 28901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.330],
"number_observations": 52221,
"number_observations_unique": 8074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [90.650,5.200],
"number_observations": 17312,
"number_observations_unique": 2774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 70.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}