Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1fefe9164471447909828cb59d0098ca",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 129.500,
"b": 141.902,
"c": 151.680,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [103.695,2.300],
"number_observations_unique": 124395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.42,2.30],
"number_observations": 62222,
"number_observations_unique": 17980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.57,2.42],
"number_observations": 64477,
"number_observations_unique": 17051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.75,2.57],
"number_observations": 60689,
"number_observations_unique": 16041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.97,2.75],
"number_observations": 56530,
"number_observations_unique": 14939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.25,2.97],
"number_observations": 52199,
"number_observations_unique": 13790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.64,3.25],
"number_observations": 47212,
"number_observations_unique": 12487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [4.20,3.64],
"number_observations": 41794,
"number_observations_unique": 11083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [5.14,4.20],
"number_observations": 35375,
"number_observations_unique": 9425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [7.27,5.14],
"number_observations": 27380,
"number_observations_unique": 7389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [75.84,7.27],
"number_observations": 14778,
"number_observations_unique": 4210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.8
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}