Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78d07e51ca3ee6b7ce740e78267a0346",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.161,
"b": 64.464,
"c": 124.171,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.510,2.530],
"number_observations": 88566,
"number_observations_unique": 13952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.530],
"number_observations": 10466,
"number_observations_unique": 1611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [46.510,8.770],
"number_observations": 2267,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}