Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6991b2b507563c37e6847c7b6bc8c0d7",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.905,
"b": 83.905,
"c": 80.497,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97947],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.240,2.290],
"number_observations": 111156,
"number_observations_unique": 15173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.290],
"number_observations": 10217,
"number_observations_unique": 1446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [40.240,8.860],
"number_observations": 1743,
"number_observations_unique": 290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 51.600
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}