Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b5bb7334805d1fb4ed33487e9a466ad",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.558,
"b": 80.398,
"c": 55.419,
"alpha": 90.00,
"beta": 107.64,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.180,2.200],
"number_observations": 144142,
"number_observations_unique": 21335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 11917,
"number_observations_unique": 1849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [48.180,9.050],
"number_observations": 2077,
"number_observations_unique": 324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 33.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}