Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "efb1beeb0324e55984c3c26946423f31",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.886,
"b": 140.734,
"c": 97.603,
"alpha": 90.00,
"beta": 114.71,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations": 619894,
"number_observations_unique": 86382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 4276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.867
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 4293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 4333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 4297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 4304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 4300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 4308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 4287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 4299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 4321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 4317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 4313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 4327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 4317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 4308,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 4354,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 4305,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 4347,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 4359,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 4417,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
}
]
}