Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55df1e03fcfe4ed159932ef4c2a040c3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.442,
"b": 26.703,
"c": 55.711,
"alpha": 90.00,
"beta": 100.61,
"gamma": 90.00
},
"wavelengths": [0.91270],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.750,1.090],
"number_observations": 93075,
"number_observations_unique": 36049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 72.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.090],
"number_observations": 119,
"number_observations_unique": 116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.579
},
{
"type": "R(meas)",
"value": 0.819
},
{
"type": "R(pim)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 4.800
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [54.750,5.970],
"number_observations": 955,
"number_observations_unique": 343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.800
}
]
}
]
}