Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6a667cbe72785f0abfd4772b6395a8a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.005,
"b": 131.944,
"c": 96.494,
"alpha": 90.00,
"beta": 100.72,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.560,2.650],
"number_observations": 280133,
"number_observations_unique": 50249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.446
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.650],
"number_observations": 26150,
"number_observations_unique": 4674,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.385
},
{
"type": "R(meas)",
"value": 2.614
},
{
"type": "R(pim)",
"value": 1.045
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
},
{
"resolution_limits": [48.560,10.600],
"number_observations": 4484,
"number_observations_unique": 781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}