Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c02291433285edc5be59e5146cff7ef",
"space_group_name": "P 1",
"unit_cell": {
"a": 76.906,
"b": 76.956,
"c": 177.567,
"alpha": 78.09,
"beta": 82.02,
"gamma": 79.78
},
"wavelengths": [0.99900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.260,2.200],
"number_observations": 1055507,
"number_observations_unique": 190138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 43770,
"number_observations_unique": 8832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.870
},
{
"type": "R(meas)",
"value": 0.973
},
{
"type": "R(pim)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [49.260,12.050],
"number_observations": 7668,
"number_observations_unique": 1187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}