Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27524f9b952f3619bc51ca89d4daa5d5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.849,
"b": 120.018,
"c": 131.399,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.46,1.900],
"number_observations_unique": 56943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.90],
"number_observations": 18428,
"number_observations_unique": 8068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 92.90
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.12,2.00],
"number_observations": 20808,
"number_observations_unique": 8120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.27,2.12],
"number_observations": 19434,
"number_observations_unique": 7533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.45,2.27],
"number_observations": 17991,
"number_observations_unique": 6915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.69,2.45],
"number_observations": 16606,
"number_observations_unique": 6341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 94.90
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.00,2.69],
"number_observations": 14961,
"number_observations_unique": 5691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 94.00
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.47,3.00],
"number_observations": 13263,
"number_observations_unique": 5007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 93.50
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [4.25,3.47],
"number_observations": 11353,
"number_observations_unique": 4231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.4
},
{
"type": "Completeness",
"value": 93.10
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [6.01,4.25],
"number_observations": 8777,
"number_observations_unique": 3237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 25.9
},
{
"type": "Completeness",
"value": 90.90
},
{
"type": "Redundancy",
"value": 2.70
}
]
},
{
"resolution_limits": [44.46,6.01],
"number_observations": 4700,
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 88.20
},
{
"type": "Redundancy",
"value": 2.60
}
]
}
]
}