Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43c7ddc2425da48972df353795062995",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.804,
"b": 88.804,
"c": 39.444,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.400,0.990],
"number_observations": 1065571,
"number_observations_unique": 170581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.010,0.990],
"number_observations": 28908,
"number_observations_unique": 8083,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.978
},
{
"type": "R(meas)",
"value": 2.310
},
{
"type": "R(pim)",
"value": 1.150
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.340
}
]
},
{
"resolution_limits": [44.400,5.420],
"number_observations": 7796,
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 44.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}