Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bdf72f342c7ecec74652a3e464d57436",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 44.857,
"b": 63.550,
"c": 107.373,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.690,2.340],
"number_observations": 116907,
"number_observations_unique": 13149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.340],
"number_observations": 17253,
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.259
},
{
"type": "R(meas)",
"value": 1.337
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [54.690,7.400],
"number_observations": 3910,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 32.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}