Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "404dd40c41bb1e62b65d8a67aea99e83",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.428,
"b": 162.639,
"c": 166.674,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.700,2.500],
"number_observations": 425607,
"number_observations_unique": 31233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 48517,
"number_observations_unique": 3467,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.202
},
{
"type": "R(meas)",
"value": 1.247
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [29.700,9.010],
"number_observations": 9615,
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}