Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9e22b45622288bd97ef27814a71b727e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.09,
"b": 82.09,
"c": 135.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.550,2.260],
"number_observations": 505251,
"number_observations_unique": 25344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.260],
"number_observations": 37501,
"number_observations_unique": 1816,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.290
},
{
"type": "R(meas)",
"value": 2.348
},
{
"type": "R(pim)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.700
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [35.550,10.110],
"number_observations": 4269,
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}