Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ef4cddfd8e63e9945d7903526c6fd83",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.30,
"b": 122.46,
"c": 70.73,
"alpha": 90.0,
"beta": 103.4,
"gamma": 90.0
},
"wavelengths": [0.98557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.86,2.850],
"number_observations_unique": 23251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 9259,
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "R(meas)",
"value": 0.584
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [48.810,9.010],
"number_observations": 2518,
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}