Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8bc5d24c3c384cccedc132fed56b3566",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 69.729,
"b": 69.729,
"c": 124.569,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91162,0.97936,0.97925],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.348,1.62],
"number_observations_unique": 45318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.62],
"number_observations": 23949,
"number_observations_unique": 3245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [1.71,1.66],
"number_observations": 23767,
"number_observations_unique": 3219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [1.76,1.71],
"number_observations": 23246,
"number_observations_unique": 3145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [1.81,1.76],
"number_observations": 22491,
"number_observations_unique": 3033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [1.87,1.81],
"number_observations": 21906,
"number_observations_unique": 2958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [1.94,1.87],
"number_observations": 21462,
"number_observations_unique": 2885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.01,1.94],
"number_observations": 20440,
"number_observations_unique": 2760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.09,2.01],
"number_observations": 19845,
"number_observations_unique": 2677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.18,2.09],
"number_observations": 18911,
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 18.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.29,2.18],
"number_observations": 18148,
"number_observations_unique": 2447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.41,2.29],
"number_observations": 25273,
"number_observations_unique": 2370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 24.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [2.56,2.41],
"number_observations": 27025,
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 28.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.10
}
]
},
{
"resolution_limits": [2.74,2.56],
"number_observations": 29895,
"number_observations_unique": 2073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 33.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.40
}
]
},
{
"resolution_limits": [2.96,2.74],
"number_observations": 28643,
"number_observations_unique": 1962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 37.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.60
}
]
},
{
"resolution_limits": [3.24,2.96],
"number_observations": 26174,
"number_observations_unique": 1803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 44.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [3.62,3.24],
"number_observations": 23812,
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 49.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [4.18,3.62],
"number_observations": 21118,
"number_observations_unique": 1476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 52.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.30
}
]
},
{
"resolution_limits": [5.12,4.18],
"number_observations": 17659,
"number_observations_unique": 1259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 52.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [7.24,5.12],
"number_observations": 13622,
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 49.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.80
}
]
},
{
"resolution_limits": [29.36,7.24],
"number_observations": 7203,
"number_observations_unique": 592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 50.1
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 12.20
}
]
}
]
}