Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a610c69c46f4b776d04c98549afa98c8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 82.978,
"b": 175.779,
"c": 83.709,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.849,2.300],
"number_observations_unique": 55151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.42,2.30],
"number_observations": 22272,
"number_observations_unique": 6091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 77.20
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.57,2.42],
"number_observations": 30485,
"number_observations_unique": 6678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 89.10
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [2.75,2.57],
"number_observations": 29574,
"number_observations_unique": 6629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 93.70
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.97,2.75],
"number_observations": 29520,
"number_observations_unique": 6538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [3.25,2.97],
"number_observations": 29294,
"number_observations_unique": 6100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.64,3.25],
"number_observations": 26923,
"number_observations_unique": 5548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [4.20,3.64],
"number_observations": 23861,
"number_observations_unique": 4936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [5.14,4.20],
"number_observations": 20195,
"number_observations_unique": 4175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.6
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [7.27,5.14],
"number_observations": 15665,
"number_observations_unique": 3275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [41.85,7.27],
"number_observations": 8408,
"number_observations_unique": 1865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 4.50
}
]
}
]
}