Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f81e40c292345ef9bb5b280a06528ba",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 59.034,
"b": 47.978,
"c": 23.595,
"alpha": 90.00,
"beta": 107.13,
"gamma": 90.00
},
"wavelengths": [1.25000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.270,1.920],
"number_observations": 17100,
"number_observations_unique": 4744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 766,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 84.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [18.270,9.010],
"number_observations": 159,
"number_observations_unique": 48,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 49.100
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}