Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d51a5c7a6a3ebea02e7fd0a365d99387",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.820,
"b": 56.992,
"c": 114.936,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.730,1.380],
"number_observations": 449859,
"number_observations_unique": 70773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.380],
"number_observations": 26703,
"number_observations_unique": 5109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.701
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "R(pim)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.744
}
]
},
{
"resolution_limits": [28.730,6.170],
"number_observations": 5483,
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 47.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}