Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec4c04074db0287d7d4a4e6b607c9057",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 113.477,
"b": 113.477,
"c": 66.794,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations_unique": 19603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations_unique": 1928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.568
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
}
]
},
{
"resolution_limits": [2.590,2.490],
"number_observations_unique": 1958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
}
]
},
{
"resolution_limits": [2.700,2.590],
"number_observations_unique": 1911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
}
]
},
{
"resolution_limits": [2.850,2.700],
"number_observations_unique": 1959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations_unique": 1942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
{
"resolution_limits": [3.260,3.020],
"number_observations_unique": 1949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [3.580,3.260],
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [4.100,3.580],
"number_observations_unique": 1948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
{
"resolution_limits": [5.170,4.100],
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [50.000,5.170],
"number_observations_unique": 2053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.800
}
]
}
]
}