Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "982929397a4d3e614e6f6af5c55a3935",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 105.537,
"b": 105.537,
"c": 105.537,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.200,2.040],
"number_observations": 65229,
"number_observations_unique": 24699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.040],
"number_observations": 4311,
"number_observations_unique": 1706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.832
},
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [47.200,9.120],
"number_observations": 785,
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}