Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35f80cdb4a4f02b3e33a0c366aee7b29",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.873,
"b": 93.926,
"c": 116.965,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.89685],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.817,1.05],
"number_observations_unique": 120837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.142,1.052],
"number_observations": 86705,
"number_observations_unique": 6042,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.506
},
{
"type": "R(meas)",
"value": 1.561
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 72.300
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [19.817,3.265],
"number_observations": 79158,
"number_observations_unique": 6042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}