Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bca98f90bc6d45c49fdf6cd97a7b2efc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.49,
"b": 76.86,
"c": 81.86,
"alpha": 90.00,
"beta": 91.17,
"gamma": 90.00
},
"wavelengths": [0.98110],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.193,2.27],
"number_observations_unique": 29999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 2.79
}
]
},
"refln_shells": [
{
"resolution_limits": [2.3,2.27],
"number_observations_unique": 711,
"quality_factors": [
{
"type": "I/SigI",
"value": 2.64
},
{
"type": "Completeness",
"value": 59.3
}
]
},
{
"resolution_limits": [2.4,2.3],
"number_observations_unique": 3501,
"quality_factors": [
{
"type": "I/SigI",
"value": 3.93
},
{
"type": "Completeness",
"value": 99.2
}
]
},
{
"resolution_limits": [2.5,2.4],
"number_observations_unique": 2942,
"quality_factors": [
{
"type": "I/SigI",
"value": 4.64
},
{
"type": "Completeness",
"value": 99.2
}
]
},
{
"resolution_limits": [3.0,2.5],
"number_observations_unique": 9607,
"quality_factors": [
{
"type": "I/SigI",
"value": 7.54
},
{
"type": "Completeness",
"value": 99.3
}
]
},
{
"resolution_limits": [4.0,3.0],
"number_observations_unique": 7653,
"quality_factors": [
{
"type": "I/SigI",
"value": 15.88
},
{
"type": "Completeness",
"value": 99.2
}
]
}
]
}