Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d44a5e93b30ff471f73e578061ff95e9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.959,
"b": 70.653,
"c": 149.362,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.790,2.660],
"number_observations": 89562,
"number_observations_unique": 15416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.660],
"number_observations": 10022,
"number_observations_unique": 1900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.545
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [49.790,8.820],
"number_observations": 2613,
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}