Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88f6f7573f6816be572fe881b768b310",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.840,
"b": 74.171,
"c": 118.537,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.280,2.050],
"number_observations": 232119,
"number_observations_unique": 17708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 11548,
"number_observations_unique": 1299,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.256
},
{
"type": "R(meas)",
"value": 1.336
},
{
"type": "R(pim)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [37.280,8.940],
"number_observations": 2774,
"number_observations_unique": 253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 49.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}