Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5bc452c7dbc73588902d3b927b155fa9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.530,
"b": 90.736,
"c": 48.346,
"alpha": 90.00,
"beta": 101.44,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.0,2.05],
"number_observations_unique": 23056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.05],
"number_observations_unique": 1050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [2.21,2.12],
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [2.31,2.21],
"number_observations_unique": 1014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [2.43,2.31],
"number_observations_unique": 988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 2.4
}
]
},
{
"resolution_limits": [2.58,2.43],
"number_observations_unique": 1012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 2.3
}
]
},
{
"resolution_limits": [2.78,2.58],
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 91.1
},
{
"type": "Redundancy",
"value": 2.1
}
]
},
{
"resolution_limits": [3.06,2.78],
"number_observations_unique": 1175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 86.1
},
{
"type": "Redundancy",
"value": 2.0
}
]
},
{
"resolution_limits": [3.5,3.06],
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [4.41,3.5],
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 92.9
},
{
"type": "Redundancy",
"value": 2.5
}
]
}
]
}