Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2970ba3b165c3f2119d411097a1af3ae",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 100.110,
"b": 100.110,
"c": 66.916,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000,0.97929,0.91837,0.97898],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.424,1.740],
"number_observations_unique": 20444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.79,1.74],
"number_observations": 9794,
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.852
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [1.83,1.79],
"number_observations": 10302,
"number_observations_unique": 1450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [1.89,1.83],
"number_observations": 9904,
"number_observations_unique": 1398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [1.95,1.89],
"number_observations": 9713,
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.01,1.95],
"number_observations": 14603,
"number_observations_unique": 1334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 10.90
}
]
},
{
"resolution_limits": [2.08,2.01],
"number_observations": 15712,
"number_observations_unique": 1288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 12.20
}
]
},
{
"resolution_limits": [2.16,2.08],
"number_observations": 17565,
"number_observations_unique": 1252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [2.25,2.16],
"number_observations": 16888,
"number_observations_unique": 1209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [2.35,2.25],
"number_observations": 16107,
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 13.80
}
]
},
{
"resolution_limits": [2.46,2.35],
"number_observations": 15812,
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [2.59,2.46],
"number_observations": 14447,
"number_observations_unique": 1053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.70
}
]
},
{
"resolution_limits": [2.75,2.59],
"number_observations": 14103,
"number_observations_unique": 1028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.70
}
]
},
{
"resolution_limits": [2.94,2.75],
"number_observations": 13173,
"number_observations_unique": 970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.60
}
]
},
{
"resolution_limits": [3.18,2.94],
"number_observations": 12121,
"number_observations_unique": 889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 13.60
}
]
},
{
"resolution_limits": [3.48,3.18],
"number_observations": 11000,
"number_observations_unique": 825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [3.89,3.48],
"number_observations": 9941,
"number_observations_unique": 760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [4.49,3.89],
"number_observations": 8358,
"number_observations_unique": 674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 12.40
}
]
},
{
"resolution_limits": [5.50,4.49],
"number_observations": 7313,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 12.80
}
]
},
{
"resolution_limits": [7.78,5.50],
"number_observations": 5832,
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 13.00
}
]
},
{
"resolution_limits": [29.45,7.78],
"number_observations": 2601,
"number_observations_unique": 258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 91.60
},
{
"type": "Redundancy",
"value": 10.10
}
]
}
]
}