Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "774f0e2d8b2263817db5648f00a0ef1f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 210.687,
"b": 117.240,
"c": 188.527,
"alpha": 90.00,
"beta": 89.58,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [105.341,2.241],
"number_observations": 963322,
"number_observations_unique": 138075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 90.2
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.241],
"number_observations": 46909,
"number_observations_unique": 6905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.997
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [105.341,7.137],
"number_observations": 47495,
"number_observations_unique": 6903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}