Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9867d237a98f50d3663d355a6c02bf2a",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 58.204,
"b": 58.204,
"c": 397.613,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.370,1.670],
"number_observations": 865429,
"number_observations_unique": 48552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.670],
"number_observations": 52136,
"number_observations_unique": 3426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "R(pim)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 15.200
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [29.370,7.450],
"number_observations": 10038,
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}