Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f29e1ed336dd698cc484df7bc13952b7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.777,
"b": 46.992,
"c": 57.566,
"alpha": 90.00,
"beta": 102.21,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.450],
"number_observations": 224769,
"number_observations_unique": 53283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations_unique": 2383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.500,1.480],
"number_observations_unique": 2571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 2649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.560,1.530],
"number_observations_unique": 2660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.600,1.560],
"number_observations_unique": 2672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 2678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.670,1.630],
"number_observations_unique": 2666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.720,1.670],
"number_observations_unique": 2698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.770,1.720],
"number_observations_unique": 2675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.830,1.770],
"number_observations_unique": 2671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 2692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.970,1.890],
"number_observations_unique": 2691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.060,1.970],
"number_observations_unique": 2703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.170,2.060],
"number_observations_unique": 2682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.300,2.170],
"number_observations_unique": 2701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.480,2.300],
"number_observations_unique": 2691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.730,2.480],
"number_observations_unique": 2712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.120,2.730],
"number_observations_unique": 2701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.940,3.120],
"number_observations_unique": 2724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [50.000,3.940],
"number_observations_unique": 2663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
}
]
}