Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b6b07418bb2c0fb7ef6b186af2a3c2c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 110.98,
"b": 69.97,
"c": 116.05,
"alpha": 90.0,
"beta": 91.6,
"gamma": 90.0
},
"wavelengths": [1.03318],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.51,2.000],
"number_observations_unique": 119106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations": 31654,
"number_observations_unique": 8864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.11,2.05],
"number_observations": 30710,
"number_observations_unique": 8597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.17,2.11],
"number_observations": 29792,
"number_observations_unique": 8340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.24,2.17],
"number_observations": 29111,
"number_observations_unique": 8155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.31,2.24],
"number_observations": 28214,
"number_observations_unique": 7887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.39,2.31],
"number_observations": 27349,
"number_observations_unique": 7646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.48,2.39],
"number_observations": 26461,
"number_observations_unique": 7385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.58,2.48],
"number_observations": 25493,
"number_observations_unique": 7127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.70,2.58],
"number_observations": 24271,
"number_observations_unique": 6792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 14.8
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.83,2.70],
"number_observations": 23218,
"number_observations_unique": 6502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.98,2.83],
"number_observations": 22042,
"number_observations_unique": 6187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 19.4
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [3.16,2.98],
"number_observations": 20790,
"number_observations_unique": 5854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 22.4
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [3.38,3.16],
"number_observations": 19464,
"number_observations_unique": 5513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 25.1
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [3.65,3.38],
"number_observations": 18071,
"number_observations_unique": 5141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 28.1
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [4.00,3.65],
"number_observations": 16384,
"number_observations_unique": 4695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 29.8
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [4.47,4.00],
"number_observations": 14728,
"number_observations_unique": 4258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 31.0
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [5.16,4.47],
"number_observations": 12819,
"number_observations_unique": 3750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 31.3
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [6.32,5.16],
"number_observations": 10965,
"number_observations_unique": 3212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 30.5
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [8.94,6.32],
"number_observations": 7634,
"number_observations_unique": 2329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 31.0
},
{
"type": "Completeness",
"value": 91.80
}
]
},
{
"resolution_limits": [49.51,8.94],
"number_observations": 2494,
"number_observations_unique": 872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 29.3
},
{
"type": "Completeness",
"value": 60.30
}
]
}
]
}