Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9a9c1e08b2e8fb89ddbc5357f82e109d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 110.231,
"b": 111.619,
"c": 163.868,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.900],
"number_observations": 615406,
"number_observations_unique": 44471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 4367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 4395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
}
]
},
{
"resolution_limits": [3.270,3.120],
"number_observations_unique": 4382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.600
}
]
},
{
"resolution_limits": [3.440,3.270],
"number_observations_unique": 4392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 4401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [3.940,3.650],
"number_observations_unique": 4416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
{
"resolution_limits": [4.330,3.940],
"number_observations_unique": 4441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [4.960,4.330],
"number_observations_unique": 4462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [6.240,4.960],
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 4699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.000
}
]
}
]
}