Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7020966d65798ee2f5bbb8c1feefcac5",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 49.103,
"b": 114.517,
"c": 164.459,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.6082,1.6969],
"number_observations_unique": 51335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.6969],
"number_observations_unique": 2392,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.516
},
{
"type": "R(meas)",
"value": 5.073
},
{
"type": "R(pim)",
"value": 2.233
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.395
}
]
},
{
"resolution_limits": [39.600,8.980],
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}