Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3ea56e9f22bae90a191f963490826cf",
"space_group_name": "P 61",
"unit_cell": {
"a": 45.542,
"b": 45.542,
"c": 58.595,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.720,1.810],
"number_observations_unique": 11188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 2345,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.916
},
{
"type": "R(meas)",
"value": 0.994
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [19.720,9.050],
"number_observations": 453,
"number_observations_unique": 42,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 75.900
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}