Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3850c9acf043ad6f9aef776e359f2b9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.409,
"b": 136.411,
"c": 50.548,
"alpha": 90.0,
"beta": 118.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97917,0.97862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.277,1.60],
"number_observations_unique": 78581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.64,1.60],
"number_observations": 14633,
"number_observations_unique": 5758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [1.69,1.64],
"number_observations": 14406,
"number_observations_unique": 5650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [1.74,1.69],
"number_observations": 13988,
"number_observations_unique": 5491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [1.79,1.74],
"number_observations": 13511,
"number_observations_unique": 5297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [1.85,1.79],
"number_observations": 13218,
"number_observations_unique": 5161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [1.91,1.85],
"number_observations": 12734,
"number_observations_unique": 4978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [1.98,1.91],
"number_observations": 12396,
"number_observations_unique": 4842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.07,1.98],
"number_observations": 11977,
"number_observations_unique": 4670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.16,2.07],
"number_observations": 11416,
"number_observations_unique": 4461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.26,2.16],
"number_observations": 10984,
"number_observations_unique": 4285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.39,2.26],
"number_observations": 10488,
"number_observations_unique": 4092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.53,2.39],
"number_observations": 9914,
"number_observations_unique": 3867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.70,2.53],
"number_observations": 9321,
"number_observations_unique": 3626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.92,2.70],
"number_observations": 8657,
"number_observations_unique": 3366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 16.0
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.20,2.92],
"number_observations": 7999,
"number_observations_unique": 3120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 17.9
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.58,3.20],
"number_observations": 7302,
"number_observations_unique": 2837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 20.2
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [4.13,3.58],
"number_observations": 6362,
"number_observations_unique": 2462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [5.06,4.13],
"number_observations": 5462,
"number_observations_unique": 2121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 22.2
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [7.16,5.06],
"number_observations": 4151,
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 21.3
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [27.28,7.16],
"number_observations": 2240,
"number_observations_unique": 881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 2.50
}
]
}
]
}