Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee741668ae8a5fe05d642c3ac508f74f",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 133.657,
"b": 133.657,
"c": 77.823,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.550],
"number_observations_unique": 101449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations_unique": 9996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 5.15
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations_unique": 10001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 6.72
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations_unique": 10032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 8.40
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations_unique": 10056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 11.55
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations_unique": 10058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 15.72
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations_unique": 10114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 22.01
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
}
]
},
{
"resolution_limits": [2.320,2.100],
"number_observations_unique": 10120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 29.46
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.600
}
]
},
{
"resolution_limits": [2.650,2.320],
"number_observations_unique": 10179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 38.30
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.700
}
]
},
{
"resolution_limits": [3.340,2.650],
"number_observations_unique": 10282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 50.44
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.600
}
]
},
{
"resolution_limits": [50.000,3.340],
"number_observations_unique": 10611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 65.88
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.900
}
]
}
]
}