Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23a7d0e8e49d5310d5b11ad85abd46ee",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 146.383,
"b": 68.313,
"c": 108.161,
"alpha": 90.00,
"beta": 95.24,
"gamma": 90.00
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.857,3.120],
"number_observations_unique": 18940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [3.290,3.120],
"number_observations": 10246,
"number_observations_unique": 2754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.998
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.490,3.290],
"number_observations": 9753,
"number_observations_unique": 2631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.730,3.490],
"number_observations": 8984,
"number_observations_unique": 2439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.030,3.730],
"number_observations": 8433,
"number_observations_unique": 2308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.410,4.030],
"number_observations": 7621,
"number_observations_unique": 2097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.930,4.410],
"number_observations": 6995,
"number_observations_unique": 1937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.700,4.930],
"number_observations": 6158,
"number_observations_unique": 1707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [6.980,5.700],
"number_observations": 4980,
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [9.870,6.980],
"number_observations": 3814,
"number_observations_unique": 1110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [61.857,9.870],
"number_observations": 1719,
"number_observations_unique": 545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 42.000
},
{
"type": "Completeness",
"value": 84.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
}
]
}