Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3f17f2b17b4537cd7b9570bf480f70f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.845,
"b": 49.152,
"c": 115.021,
"alpha": 90.00,
"beta": 95.03,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.530,1.770],
"number_observations": 597419,
"number_observations_unique": 87561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 22034,
"number_observations_unique": 4081,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.592
},
{
"type": "R(meas)",
"value": 2.877
},
{
"type": "R(pim)",
"value": 1.216
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [80.530,9.530],
"number_observations": 4145,
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 67.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}