Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8e6f4cfc862674fd4f55ffea33ff8da",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 102.620,
"b": 122.667,
"c": 126.733,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95730],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.360,1.900],
"number_observations": 663655,
"number_observations_unique": 126226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 28954,
"number_observations_unique": 6167,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.572
},
{
"type": "R(meas)",
"value": 1.775
},
{
"type": "R(pim)",
"value": 0.812
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [49.360,10.410],
"number_observations": 4006,
"number_observations_unique": 871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 36.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}