{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1228f94886d80860da8c77295b61f51",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 102.837,
"b": 102.837,
"c": 111.276,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.185,2.10],
"number_observations_unique": 35346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.15,2.10],
"number_observations": 12508,
"number_observations_unique": 2560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.21,2.15],
"number_observations": 12306,
"number_observations_unique": 2513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.28,2.21],
"number_observations": 11981,
"number_observations_unique": 2462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.35,2.28],
"number_observations": 11541,
"number_observations_unique": 2365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.42,2.35],
"number_observations": 11266,
"number_observations_unique": 2302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.51,2.42],
"number_observations": 11020,
"number_observations_unique": 2250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.60,2.51],
"number_observations": 10538,
"number_observations_unique": 2154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.71,2.60],
"number_observations": 10136,
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.83,2.71],
"number_observations": 9722,
"number_observations_unique": 1989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [2.97,2.83],
"number_observations": 9399,
"number_observations_unique": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [3.13,2.97],
"number_observations": 8922,
"number_observations_unique": 1822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [3.32,3.13],
"number_observations": 8392,
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.55,3.32],
"number_observations": 7976,
"number_observations_unique": 1647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [3.83,3.55],
"number_observations": 7286,
"number_observations_unique": 1514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [4.20,3.83],
"number_observations": 6789,
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [4.70,4.20],
"number_observations": 6216,
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [5.42,4.70],
"number_observations": 5439,
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [6.64,5.42],
"number_observations": 4570,
"number_observations_unique": 974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.2
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [9.39,6.64],
"number_observations": 3564,
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [29.185,9.39],
"number_observations": 1742,
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 20.2
},
{
"type": "Completeness",
"value": 93.80
},
{
"type": "Redundancy",
"value": 4.00
}
]
}
]
}
|