Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d3bd50552f906eaf28c936e28dd64e0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.575,
"b": 128.074,
"c": 147.889,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.300,1.740],
"number_observations": 1701348,
"number_observations_unique": 114259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations_unique": 5524,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.904
},
{
"type": "R(meas)",
"value": 3.005
},
{
"type": "R(pim)",
"value": 0.768
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 0.516
}
]
},
{
"resolution_limits": [49.300,9.530],
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 46.9
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}