Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "624bbdd2ce2efc1d1793235eaa925300",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.755,
"b": 59.446,
"c": 99.354,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.620],
"number_observations_unique": 30727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.68,1.62],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "Completeness",
"value": 66.40
},
{
"type": "Redundancy",
"value": 2.10
}
]
},
{
"resolution_limits": [1.75,1.68],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "Completeness",
"value": 87.00
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [1.82,1.75],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [1.92,1.82],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [2.04,1.92],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [2.20,2.04],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [2.42,2.20],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [2.77,2.42],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [3.49,2.77],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [50.00,3.49],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 4.90
}
]
}
]
}