Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02b1b64f0bf177061c3466a21f9b50df",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 82.967,
"b": 82.967,
"c": 101.895,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.48,1.100],
"number_observations_unique": 77795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.399
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.16,1.10],
"number_observations": 33823,
"number_observations_unique": 7781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 65.10
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [1.23,1.16],
"number_observations": 71429,
"number_observations_unique": 9683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 85.50
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [1.31,1.23],
"number_observations": 128197,
"number_observations_unique": 10680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 12.00
}
]
},
{
"resolution_limits": [1.42,1.31],
"number_observations": 137247,
"number_observations_unique": 9989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 13.70
}
]
},
{
"resolution_limits": [1.56,1.42],
"number_observations": 127426,
"number_observations_unique": 9270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.70
}
]
},
{
"resolution_limits": [1.74,1.56],
"number_observations": 115844,
"number_observations_unique": 8456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.70
}
]
},
{
"resolution_limits": [2.01,1.74],
"number_observations": 102126,
"number_observations_unique": 7507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.60
}
]
},
{
"resolution_limits": [2.46,2.01],
"number_observations": 85498,
"number_observations_unique": 6400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [3.48,2.46],
"number_observations": 64562,
"number_observations_unique": 5068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.70
}
]
},
{
"resolution_limits": [41.56,3.48],
"number_observations": 39219,
"number_observations_unique": 2961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.6
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.20
}
]
}
]
}