Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a12685735eba4cdbe4bafc6ba422d583",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 30.486,
"b": 56.401,
"c": 73.852,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.82,1.34],
"number_observations_unique": 28707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 36.0
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.82,7.32],
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 65.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.36,1.34],
"number_observations_unique": 969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 68.4
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
}
]
}