Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "daf2e79fe41b879707090e06cf4fa7b9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 100.982,
"b": 146.910,
"c": 165.471,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.346,2.800],
"number_observations_unique": 61276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.80],
"number_observations": 21139,
"number_observations_unique": 5928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.01,2.90],
"number_observations": 20684,
"number_observations_unique": 5742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.13,3.01],
"number_observations": 20241,
"number_observations_unique": 5540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.27,3.13],
"number_observations": 19530,
"number_observations_unique": 5307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.43,3.27],
"number_observations": 18756,
"number_observations_unique": 5072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.61,3.43],
"number_observations": 17967,
"number_observations_unique": 4864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.83,3.61],
"number_observations": 16903,
"number_observations_unique": 4588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.10,3.83],
"number_observations": 15859,
"number_observations_unique": 4314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.43,4.10],
"number_observations": 14847,
"number_observations_unique": 4055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.85,4.43],
"number_observations": 13612,
"number_observations_unique": 3727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [5.42,4.85],
"number_observations": 12307,
"number_observations_unique": 3390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [6.26,5.42],
"number_observations": 10824,
"number_observations_unique": 3008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 18.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [7.67,6.26],
"number_observations": 9088,
"number_observations_unique": 2574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 20.9
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [10.84,7.67],
"number_observations": 6866,
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.0
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [74.35,10.84],
"number_observations": 3535,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.9
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 3.10
}
]
}
]
}