Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b0f18a048644ec920ed47f46344ff567",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 67.167,
"b": 71.045,
"c": 50.528,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.550],
"number_observations_unique": 17466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 27.5
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations_unique": 1735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations_unique": 1777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 3.296
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 4.874
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 7.623
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations_unique": 1756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 11.328
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations_unique": 1722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 16.440
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.320,2.100],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 21.970
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.650,2.320],
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 27.721
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.340,2.650],
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 36.746
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [50.000,3.340],
"number_observations_unique": 1809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 48.640
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}