Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2dc967dc6321bec8d539bfddb0d43ac",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.156,
"b": 104.178,
"c": 153.700,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.330,2.000],
"number_observations": 815941,
"number_observations_unique": 59724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 61845,
"number_observations_unique": 4348,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.504
},
{
"type": "R(meas)",
"value": 1.560
},
{
"type": "R(pim)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [49.330,8.940],
"number_observations": 9753,
"number_observations_unique": 774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 89.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}