Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ccaac6f7acd43969f6b10265a146a42f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 166.108,
"b": 37.973,
"c": 101.974,
"alpha": 90.00,
"beta": 125.49,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations_unique": 20311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 22.0
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations_unique": 1988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.590,2.490],
"number_observations_unique": 2020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.700,2.590],
"number_observations_unique": 2033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.850,2.700],
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations_unique": 2026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.260,3.020],
"number_observations_unique": 2023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.580,3.260],
"number_observations_unique": 2015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [4.100,3.580],
"number_observations_unique": 2035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [5.170,4.100],
"number_observations_unique": 2047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [50.000,5.170],
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
}
]
}