Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b230755e6bb1f5eda6fbc5499afce87",
"space_group_name": "H 3",
"unit_cell": {
"a": 82.15,
"b": 82.15,
"c": 33.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.075,1.591],
"number_observations_unique": 10133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 89.1
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.591],
"number_observations": 4639,
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
{
"resolution_limits": [1.780,1.680],
"number_observations": 4069,
"number_observations_unique": 1384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 89.9
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [1.900,1.780],
"number_observations": 4375,
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 92.6
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [2.050,1.900],
"number_observations": 3411,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 76.5
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [2.250,2.050],
"number_observations": 3229,
"number_observations_unique": 992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 78.4
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.520,2.250],
"number_observations": 3658,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 93.2
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.910,2.520],
"number_observations": 3130,
"number_observations_unique": 911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 89.7
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [3.560,2.910],
"number_observations": 2716,
"number_observations_unique": 797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 94.0
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [5.030,3.560],
"number_observations": 1829,
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 82.5
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [21.014,5.030],
"number_observations": 1150,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 92.8
},
{
"type": "Redundancy",
"value": 3.4
}
]
}
]
}