Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d64b8d7381df564f0c1c0471f7ec537f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 191.982,
"b": 56.618,
"c": 105.518,
"alpha": 90.00,
"beta": 115.71,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 59046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.100],
"number_observations_unique": 5628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.497
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.260,2.180],
"number_observations_unique": 5695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.370,2.260],
"number_observations_unique": 5864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.490,2.370],
"number_observations_unique": 5876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.650,2.490],
"number_observations_unique": 5931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.850,2.650],
"number_observations_unique": 5989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.140,2.850],
"number_observations_unique": 5933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.590,3.140],
"number_observations_unique": 5973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [4.520,3.590],
"number_observations_unique": 6009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [50.000,4.520],
"number_observations_unique": 6148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.600
}
]
}
]
}