Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e77a02a2a707ed76d602ef1157bb01e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 53.039,
"b": 61.627,
"c": 69.528,
"alpha": 90.00,
"beta": 92.98,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [17.359,1.600],
"number_observations_unique": 27504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.627
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.69,1.60],
"number_observations": 8763,
"number_observations_unique": 3930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 91.30
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [1.79,1.69],
"number_observations": 8390,
"number_observations_unique": 3740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 92.40
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [1.91,1.79],
"number_observations": 8015,
"number_observations_unique": 3568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 93.70
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [2.07,1.91],
"number_observations": 7546,
"number_observations_unique": 3359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 94.50
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [2.26,2.07],
"number_observations": 7079,
"number_observations_unique": 3140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 95.50
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.53,2.26],
"number_observations": 6421,
"number_observations_unique": 2847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 18.2
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.92,2.53],
"number_observations": 5774,
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [3.58,2.92],
"number_observations": 4805,
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.3
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [5.06,3.58],
"number_observations": 3307,
"number_observations_unique": 1522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 24.1
},
{
"type": "Completeness",
"value": 88.00
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [17.89,5.06],
"number_observations": 1573,
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 23.4
},
{
"type": "Completeness",
"value": 74.00
},
{
"type": "Redundancy",
"value": 2.20
}
]
}
]
}