Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "181fae600e3d63e8d308ffc73e17a929",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.783,
"b": 56.839,
"c": 114.421,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.610,2.040],
"number_observations": 140596,
"number_observations_unique": 22202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.040],
"number_observations": 9955,
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.799
},
{
"type": "R(meas)",
"value": 0.871
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [28.610,9.120],
"number_observations": 1666,
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}