Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2a2f08ec91d04db1a75f6e793704fc9",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 73.897,
"b": 73.897,
"c": 357.587,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.190,2.300],
"number_observations_unique": 44551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.930
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 26623,
"number_observations_unique": 3721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 83.200
},
{
"type": "Redundancy",
"value": 6.840
}
]
},
{
"resolution_limits": [2.480,2.380],
"number_observations": 35820,
"number_observations_unique": 4348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.830
}
]
},
{
"resolution_limits": [2.590,2.480],
"number_observations": 41240,
"number_observations_unique": 4450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.010
}
]
},
{
"resolution_limits": [2.730,2.590],
"number_observations": 41249,
"number_observations_unique": 4478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.020
}
]
},
{
"resolution_limits": [2.900,2.730],
"number_observations": 41188,
"number_observations_unique": 4498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.950
}
]
},
{
"resolution_limits": [3.120,2.900],
"number_observations": 40304,
"number_observations_unique": 4501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.750
}
]
},
{
"resolution_limits": [3.440,3.120],
"number_observations": 38952,
"number_observations_unique": 4524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.440
}
]
},
{
"resolution_limits": [3.930,3.440],
"number_observations": 36263,
"number_observations_unique": 4570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.720
}
]
},
{
"resolution_limits": [4.950,3.930],
"number_observations": 32646,
"number_observations_unique": 4600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.860
}
]
},
{
"resolution_limits": [42.190,4.950],
"number_observations": 30078,
"number_observations_unique": 4861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.910
}
]
}
]
}