Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00b21d397dee6c20af24088568a902ed",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.511,
"b": 95.511,
"c": 45.852,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.330,1.230],
"number_observations": 584046,
"number_observations_unique": 55882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.230],
"number_observations": 4467,
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.113
},
{
"type": "R(meas)",
"value": 1.382
},
{
"type": "R(pim)",
"value": 0.799
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 58.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.331
}
]
},
{
"resolution_limits": [41.330,6.740],
"number_observations": 5042,
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 50.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}