Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "60a25cb2efe454a2714149a9cabcdc0b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.429,
"b": 83.238,
"c": 58.720,
"alpha": 90.00,
"beta": 108.35,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.310,1.340],
"number_observations": 425805,
"number_observations_unique": 82061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 72.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 272,
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 4.800
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [46.310,7.340],
"number_observations": 4658,
"number_observations_unique": 725,
"quality_factors": [
{
"type": "I/SigI",
"value": 104.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}