Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38096cecb2b5a30030ee982dace35488",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 88.767,
"b": 81.255,
"c": 105.916,
"alpha": 90.00,
"beta": 112.93,
"gamma": 90.00
},
"wavelengths": [1.07818],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.55,1.816],
"number_observations_unique": 123054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.822,1.816],
"number_observations": 4958,
"number_observations_unique": 1239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.538
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [97.546,8.428],
"number_observations": 4779,
"number_observations_unique": 1284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}