Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8117121c0d4fe6bc153dcb17ebebba62",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 77.533,
"b": 77.533,
"c": 56.591,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99987,0.97969,0.97957],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.156,2.04],
"number_observations_unique": 12800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.09,2.04],
"number_observations": 4286,
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [2.15,2.09],
"number_observations": 4531,
"number_observations_unique": 902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [2.21,2.15],
"number_observations": 4901,
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.28,2.21],
"number_observations": 4995,
"number_observations_unique": 868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [2.36,2.28],
"number_observations": 4857,
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [2.44,2.36],
"number_observations": 4612,
"number_observations_unique": 798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [2.53,2.44],
"number_observations": 4472,
"number_observations_unique": 774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [2.63,2.53],
"number_observations": 4412,
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [2.75,2.63],
"number_observations": 4241,
"number_observations_unique": 740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [2.89,2.75],
"number_observations": 3978,
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [3.04,2.89],
"number_observations": 3753,
"number_observations_unique": 658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [3.23,3.04],
"number_observations": 3627,
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [3.45,3.23],
"number_observations": 3375,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [3.72,3.45],
"number_observations": 3153,
"number_observations_unique": 561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [4.08,3.72],
"number_observations": 2846,
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [4.56,4.08],
"number_observations": 2628,
"number_observations_unique": 475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [5.27,4.56],
"number_observations": 2249,
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [6.45,5.27],
"number_observations": 1908,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [9.12,6.45],
"number_observations": 1419,
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [23.17,9.12],
"number_observations": 725,
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 90.90
},
{
"type": "Redundancy",
"value": 4.80
}
]
}
]
}