Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4f690e679465be4de1534dde03bf47d",
"space_group_name": "P 1",
"unit_cell": {
"a": 34.435,
"b": 43.040,
"c": 53.689,
"alpha": 68.44,
"beta": 88.62,
"gamma": 79.44
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.760],
"number_observations_unique": 26501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.760],
"number_observations_unique": 2406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [1.900,1.820],
"number_observations_unique": 2644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.980,1.900],
"number_observations_unique": 2642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.090,1.980],
"number_observations_unique": 2614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.220,2.090],
"number_observations_unique": 2690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.390,2.220],
"number_observations_unique": 2676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.630,2.390],
"number_observations_unique": 2691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.010,2.630],
"number_observations_unique": 2674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.790,3.010],
"number_observations_unique": 2740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [50.000,3.790],
"number_observations_unique": 2724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.300
}
]
}
]
}