Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96e108429032caf9a783d99bf6e0fc7d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.15,
"b": 43.39,
"c": 59.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.980,1.560],
"number_observations_unique": 15356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.560],
"number_observations": 1945,
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 68.600
},
{
"type": "Redundancy",
"value": 1.790
}
]
},
{
"resolution_limits": [1.680,1.620],
"number_observations": 3381,
"number_observations_unique": 1481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 2.270
}
]
},
{
"resolution_limits": [1.760,1.680],
"number_observations": 3845,
"number_observations_unique": 1570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.440
}
]
},
{
"resolution_limits": [1.850,1.760],
"number_observations": 3822,
"number_observations_unique": 1559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.440
}
]
},
{
"resolution_limits": [1.970,1.850],
"number_observations": 3843,
"number_observations_unique": 1565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.440
}
]
},
{
"resolution_limits": [2.120,1.970],
"number_observations": 3966,
"number_observations_unique": 1596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.480
}
]
},
{
"resolution_limits": [2.330,2.120],
"number_observations": 4001,
"number_observations_unique": 1607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.470
}
]
},
{
"resolution_limits": [2.670,2.330],
"number_observations": 4040,
"number_observations_unique": 1603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.490
}
]
},
{
"resolution_limits": [3.360,2.670],
"number_observations": 4126,
"number_observations_unique": 1639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.490
}
]
},
{
"resolution_limits": [26.980,3.360],
"number_observations": 4187,
"number_observations_unique": 1648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.500
}
]
}
]
}