Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8fb25bdb1724d5228faac317efd08ad",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 111.940,
"b": 200.209,
"c": 201.725,
"alpha": 90.0,
"beta": 102.2,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.290,3.600],
"number_observations": 592580,
"number_observations_unique": 97166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [3.660,3.600],
"number_observations": 20356,
"number_observations_unique": 4646,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.055
},
{
"type": "R(meas)",
"value": 1.200
},
{
"type": "R(pim)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.551
}
]
},
{
"resolution_limits": [49.290,19.730],
"number_observations": 3583,
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}