Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa7772e8ad131c41436d92e577a6d553",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.328,
"b": 50.681,
"c": 92.930,
"alpha": 92.49,
"beta": 102.96,
"gamma": 109.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.980,1.550],
"number_observations": 376420,
"number_observations_unique": 99050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.550],
"number_observations": 12945,
"number_observations_unique": 4098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "R(meas)",
"value": 0.880
},
{
"type": "R(pim)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 76.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.640
}
]
},
{
"resolution_limits": [39.980,8.470],
"number_observations": 2466,
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 46.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}