Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41612242288d8da6fcab5ea351f5cbe7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.906,
"b": 138.660,
"c": 155.827,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 80467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 95.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.93,1.90],
"number_observations_unique": 3994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "Completeness",
"value": 96.00
}
]
},
{
"resolution_limits": [1.97,1.93],
"number_observations_unique": 4031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "Completeness",
"value": 97.20
}
]
},
{
"resolution_limits": [2.01,1.97],
"number_observations_unique": 4037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "Completeness",
"value": 98.10
}
]
},
{
"resolution_limits": [2.05,2.01],
"number_observations_unique": 4097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [2.09,2.05],
"number_observations_unique": 4006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "Completeness",
"value": 97.30
}
]
},
{
"resolution_limits": [2.14,2.09],
"number_observations_unique": 4092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "Completeness",
"value": 97.50
}
]
},
{
"resolution_limits": [2.19,2.14],
"number_observations_unique": 4046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "Completeness",
"value": 97.30
}
]
},
{
"resolution_limits": [2.25,2.19],
"number_observations_unique": 4025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 96.70
}
]
},
{
"resolution_limits": [2.32,2.25],
"number_observations_unique": 4070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 96.90
}
]
},
{
"resolution_limits": [2.39,2.32],
"number_observations_unique": 4010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 96.60
}
]
},
{
"resolution_limits": [2.48,2.39],
"number_observations_unique": 4023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 96.50
}
]
},
{
"resolution_limits": [2.58,2.48],
"number_observations_unique": 4060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 96.10
}
]
},
{
"resolution_limits": [2.70,2.58],
"number_observations_unique": 3987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 95.90
}
]
},
{
"resolution_limits": [2.84,2.70],
"number_observations_unique": 4035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 95.60
}
]
},
{
"resolution_limits": [3.02,2.84],
"number_observations_unique": 4016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 95.10
}
]
},
{
"resolution_limits": [3.25,3.02],
"number_observations_unique": 4004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 94.60
}
]
},
{
"resolution_limits": [3.58,3.25],
"number_observations_unique": 3969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 93.80
}
]
},
{
"resolution_limits": [4.09,3.58],
"number_observations_unique": 3989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 92.80
}
]
},
{
"resolution_limits": [5.16,4.09],
"number_observations_unique": 3919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 91.30
}
]
},
{
"resolution_limits": [50.00,5.16],
"number_observations_unique": 4057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 88.70
}
]
}
]
}