{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a108bb40a51c93be2acaedf0213734f2",
"space_group_name": "P 6 2 2",
"unit_cell": {
"a": 111.774,
"b": 111.774,
"c": 46.461,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91837,0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.748,2.20],
"number_observations_unique": 9118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.26,2.20],
"number_observations": 9251,
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.30
}
]
},
{
"resolution_limits": [2.32,2.26],
"number_observations": 9332,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [2.39,2.32],
"number_observations": 8976,
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.673
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [2.46,2.39],
"number_observations": 8844,
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.40
}
]
},
{
"resolution_limits": [2.54,2.46],
"number_observations": 8384,
"number_observations_unique": 578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [2.63,2.54],
"number_observations": 8254,
"number_observations_unique": 574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.40
}
]
},
{
"resolution_limits": [2.73,2.63],
"number_observations": 7872,
"number_observations_unique": 547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.40
}
]
},
{
"resolution_limits": [2.84,2.73],
"number_observations": 7580,
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.40
}
]
},
{
"resolution_limits": [2.97,2.84],
"number_observations": 7417,
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.30
}
]
},
{
"resolution_limits": [3.11,2.97],
"number_observations": 7058,
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [3.28,3.11],
"number_observations": 6607,
"number_observations_unique": 465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [3.48,3.28],
"number_observations": 6180,
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [3.72,3.48],
"number_observations": 5901,
"number_observations_unique": 423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [4.02,3.72],
"number_observations": 5468,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.80
}
]
},
{
"resolution_limits": [4.40,4.02],
"number_observations": 5098,
"number_observations_unique": 370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.80
}
]
},
{
"resolution_limits": [4.92,4.40],
"number_observations": 4570,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.60
}
]
},
{
"resolution_limits": [5.68,4.92],
"number_observations": 4076,
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [6.96,5.68],
"number_observations": 3411,
"number_observations_unique": 263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.00
}
]
},
{
"resolution_limits": [9.84,6.96],
"number_observations": 2640,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.20
}
]
},
{
"resolution_limits": [28.75,9.84],
"number_observations": 1349,
"number_observations_unique": 132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 10.20
}
]
}
]
}
|