Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b261f4fd3f5dee7de32f04eeb7201657",
"space_group_name": "P 1",
"unit_cell": {
"a": 63.268,
"b": 81.565,
"c": 93.393,
"alpha": 66.64,
"beta": 89.38,
"gamma": 89.57
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.880,2.280],
"number_observations": 171343,
"number_observations_unique": 75860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.280],
"number_observations": 25317,
"number_observations_unique": 11114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.876
},
{
"type": "R(meas)",
"value": 1.151
},
{
"type": "R(pim)",
"value": 0.737
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.452
}
]
},
{
"resolution_limits": [74.880,7.210],
"number_observations": 5068,
"number_observations_unique": 2301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}