Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf5e06f3af9ba1a680336edf3a654cb9",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 58.133,
"b": 58.133,
"c": 397.397,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [198.720,1.500],
"number_observations": 1102591,
"number_observations_unique": 65934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 56454,
"number_observations_unique": 4750,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.110
},
{
"type": "R(meas)",
"value": 2.206
},
{
"type": "R(pim)",
"value": 0.637
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [198.720,6.710],
"number_observations": 13831,
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 45.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}