Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78152e57a58790196e2125c44c3e6798",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.073,
"b": 53.206,
"c": 74.978,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.080],
"number_observations_unique": 53739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.080],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [1.160,1.120],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.220,1.160],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.280,1.220],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [1.360,1.280],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.470,1.360],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.610,1.470],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.850,1.610],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.330,1.850],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,2.331],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}