Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47c36f0a5d8b0ad6a8058cfc4ba37322",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.968,
"b": 96.327,
"c": 47.257,
"alpha": 90.00,
"beta": 111.06,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.600,1.930],
"number_observations": 114741,
"number_observations_unique": 22121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.930],
"number_observations": 17133,
"number_observations_unique": 3213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.625
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [55.600,6.100],
"number_observations": 3586,
"number_observations_unique": 740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}