Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96f81a100e134ca663524830e7382585",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.091,
"b": 63.485,
"c": 139.775,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 26491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.18,2.10],
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "Completeness",
"value": 72.60
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [2.26,2.18],
"number_observations_unique": 2315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 78.70
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [2.37,2.26],
"number_observations_unique": 2394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "Completeness",
"value": 80.80
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.49,2.37],
"number_observations_unique": 2448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "Completeness",
"value": 83.10
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.65,2.49],
"number_observations_unique": 2566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 85.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.85,2.65],
"number_observations_unique": 2647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 89.20
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.14,2.85],
"number_observations_unique": 2795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 93.20
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [3.59,3.14],
"number_observations_unique": 2941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [4.52,3.59],
"number_observations_unique": 3043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [50.00,4.52],
"number_observations_unique": 3195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 4.90
}
]
}
]
}