Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f7635f752e7c50601bf5703ff03344a6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.46,
"b": 61.99,
"c": 70.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.2,1.7],
"number_observations_unique": 25086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0976
},
{
"type": "I/SigI",
"value": 28.27
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 29.45
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.7],
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6834
},
{
"type": "I/SigI",
"value": 2.93
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 5.42
}
]
},
{
"resolution_limits": [1.8,1.75],
"number_observations_unique": 1773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6431
},
{
"type": "I/SigI",
"value": 3.67
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 7.06
}
]
},
{
"resolution_limits": [1.85,1.8],
"number_observations_unique": 1604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5706
},
{
"type": "I/SigI",
"value": 4.54
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 8.65
}
]
},
{
"resolution_limits": [1.9,1.85],
"number_observations_unique": 1441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4812
},
{
"type": "I/SigI",
"value": 5.62
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 10.56
}
]
},
{
"resolution_limits": [1.95,1.9],
"number_observations_unique": 1322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4122
},
{
"type": "I/SigI",
"value": 6.88
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 13.05
}
]
},
{
"resolution_limits": [2.05,1.95],
"number_observations_unique": 2310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3241
},
{
"type": "I/SigI",
"value": 9.31
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.26
}
]
},
{
"resolution_limits": [2.15,2.05],
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2664
},
{
"type": "I/SigI",
"value": 12.05
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.67
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2253
},
{
"type": "I/SigI",
"value": 15.31
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.21
}
]
},
{
"resolution_limits": [2.35,2.25],
"number_observations_unique": 1331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1961
},
{
"type": "I/SigI",
"value": 18.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 28.57
}
]
},
{
"resolution_limits": [2.5,2.35],
"number_observations_unique": 1621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1624
},
{
"type": "I/SigI",
"value": 23.73
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 33.4
}
]
},
{
"resolution_limits": [2.65,2.5],
"number_observations_unique": 1275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1374
},
{
"type": "I/SigI",
"value": 30.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 39.33
}
]
},
{
"resolution_limits": [2.9,2.65],
"number_observations_unique": 1591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 39.18
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 48.09
}
]
},
{
"resolution_limits": [3.2,2.9],
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0887
},
{
"type": "I/SigI",
"value": 56.24
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 56.62
}
]
},
{
"resolution_limits": [3.7,3.2],
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0762
},
{
"type": "I/SigI",
"value": 74.82
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 60.91
}
]
},
{
"resolution_limits": [4.75,3.7],
"number_observations_unique": 1347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0545
},
{
"type": "I/SigI",
"value": 100.39
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 66.14
}
]
},
{
"resolution_limits": [70.2,4.75],
"number_observations_unique": 1288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0484
},
{
"type": "I/SigI",
"value": 98.21
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 70.28
}
]
}
]
}