Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "91ddecc701732be35f6fa39ac30938b7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 76.228,
"b": 78.291,
"c": 94.090,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.500],
"number_observations_unique": 80130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations_unique": 8619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations_unique": 8945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [1.690,1.620],
"number_observations_unique": 8987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.780,1.690],
"number_observations_unique": 9042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [1.890,1.780],
"number_observations_unique": 8532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations_unique": 5938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 65.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.240,2.040],
"number_observations_unique": 7670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.560,2.240],
"number_observations_unique": 7425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 81.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.230,2.560],
"number_observations_unique": 9100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [50.000,3.230],
"number_observations_unique": 5872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 61.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
}
]
}