Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b4796ab20166e2750656fa20bdfec5c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.13,
"b": 86.06,
"c": 66.08,
"alpha": 90.00,
"beta": 100.27,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.860,2.200],
"number_observations": 101329,
"number_observations_unique": 20512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 13993,
"number_observations_unique": 2973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "R(meas)",
"value": 0.952
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [29.860,6.960],
"number_observations": 3417,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}