Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e60fdc6e7127516d2b5db8ffa16811d",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 69.838,
"b": 88.675,
"c": 96.750,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.870,2.650],
"number_observations": 19856,
"number_observations_unique": 7081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 79.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.650],
"number_observations": 2804,
"number_observations_unique": 1018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.704
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 79.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [54.870,8.360],
"number_observations": 634,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 72.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}