Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a92c96bba67da8c113d55b30b4aab33d",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.347,
"b": 51.647,
"c": 51.972,
"alpha": 118.12,
"beta": 97.21,
"gamma": 96.00
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.920,2.010],
"number_observations": 50507,
"number_observations_unique": 25127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 2884,
"number_observations_unique": 1787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 1.600
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [44.920,8.980],
"number_observations": 544,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}