Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "282044c677358e7db74fd79351349322",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.809,
"b": 80.057,
"c": 107.211,
"alpha": 90.00,
"beta": 95.02,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.800,2.150],
"number_observations": 499713,
"number_observations_unique": 66811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.150],
"number_observations": 29924,
"number_observations_unique": 4477,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.106
},
{
"type": "R(meas)",
"value": 1.208
},
{
"type": "R(pim)",
"value": 0.475
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.229
}
]
},
{
"resolution_limits": [19.800,10.080],
"number_observations": 3964,
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
}
]
}