Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abc014e4f86b7124b88c3ddfa54d32d8",
"space_group_name": "P 1",
"unit_cell": {
"a": 84.039,
"b": 83.879,
"c": 88.410,
"alpha": 106.48,
"beta": 109.17,
"gamma": 94.98
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.5900,2.350],
"number_observations_unique": 81461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.350],
"number_observations_unique": 3461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "Completeness",
"value": 72.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [50.580,12.440],
"number_observations_unique": 556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}