Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc93819837e4d4d765a1f95ef0b8d389",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.39,
"b": 121.58,
"c": 66.19,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.790,1.770],
"number_observations": 389869,
"number_observations_unique": 85038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 17149,
"number_observations_unique": 4067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.574
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [60.790,9.380],
"number_observations": 3022,
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}