Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e19e4c662f9310aeb8df32c95b6a44d3",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 97.201,
"b": 97.201,
"c": 93.100,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.560,2.400],
"number_observations": 274283,
"number_observations_unique": 17984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 23.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 15.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations": 17237,
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.819
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [29.560,10.720],
"number_observations": 3120,
"number_observations_unique": 242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 58.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}