Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92074226cd6fd542254a61bf4ca31498",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 53.182,
"b": 53.182,
"c": 112.285,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.200,2.100],
"number_observations": 29317,
"number_observations_unique": 11138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 1736,
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "R(pim)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.651
}
]
},
{
"resolution_limits": [14.200,8.660],
"number_observations": 286,
"number_observations_unique": 139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 72.300
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}