Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61697bd9f3aab84c0e0e7c1e6e720200",
"space_group_name": "H 3",
"unit_cell": {
"a": 99.43,
"b": 99.43,
"c": 46.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.20],
"number_observations_unique": 53413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 36.6
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 17.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.24,1.20],
"number_observations_unique": 4991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 92.1
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [1.29,1.24],
"number_observations_unique": 5322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 11.5
}
]
},
{
"resolution_limits": [1.35,1.29],
"number_observations_unique": 5359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 16.0
}
]
},
{
"resolution_limits": [1.42,1.35],
"number_observations_unique": 5419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 18.9
}
]
},
{
"resolution_limits": [1.51,1.42],
"number_observations_unique": 5374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 17.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 19.8
}
]
},
{
"resolution_limits": [1.63,1.51],
"number_observations_unique": 5380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 25.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 20.0
}
]
},
{
"resolution_limits": [1.79,1.63],
"number_observations_unique": 5405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 28.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 20.1
}
]
},
{
"resolution_limits": [2.05,1.79],
"number_observations_unique": 5386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 29.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 20.1
}
]
},
{
"resolution_limits": [2.59,2.05],
"number_observations_unique": 5406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 34.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 20.1
}
]
},
{
"resolution_limits": [50,2.59],
"number_observations_unique": 5371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 46.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 19.5
}
]
}
]
}