Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12109e06e32bc3912a05aba9f18e85ac",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.792,
"b": 64.761,
"c": 48.069,
"alpha": 90.00,
"beta": 110.64,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.7250,1.410],
"number_observations_unique": 52459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.410],
"number_observations": 66170,
"number_observations_unique": 7532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.533
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [44.720,4.470],
"number_observations": 17206,
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}