Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9641192bf3885b21cbb89802e18b4d3d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.43,
"b": 58.33,
"c": 81.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54179],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.82,1.861],
"number_observations_unique": 20797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 29.2
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.861],
"number_observations": 18275,
"number_observations_unique": 2819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 3.40
},
{
"type": "Completeness",
"value": 94.1
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [2.080,1.960],
"number_observations": 19721,
"number_observations_unique": 2858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 5.00
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [2.220,2.080],
"number_observations": 18666,
"number_observations_unique": 2674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.60
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [2.400,2.220],
"number_observations": 17771,
"number_observations_unique": 2523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.70
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [2.630,2.400],
"number_observations": 16376,
"number_observations_unique": 2305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.60
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [2.940,2.630],
"number_observations": 15000,
"number_observations_unique": 2110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 18.00
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [3.390,2.940],
"number_observations": 13387,
"number_observations_unique": 1879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 22.20
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [4.160,3.390],
"number_observations": 11373,
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.30
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
{
"resolution_limits": [5.880,4.160],
"number_observations": 8750,
"number_observations_unique": 1276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 21.60
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [34.575,5.880],
"number_observations": 4073,
"number_observations_unique": 748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.70
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 5.4
}
]
}
]
}