Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18e57d0caf636138540d7e8e3b3de552",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 209.3,
"b": 448.8,
"c": 620.2,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [147.082,2.990],
"number_observations_unique": 1162817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 14.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 69.52
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.070,2.990],
"quality_factors": [
{
"type": "R(merge)",
"value": 4.673
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.150,3.070],
"quality_factors": [
{
"type": "R(merge)",
"value": 3.525
},
{
"type": "I/SigI",
"value": 1.610
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.240,3.150],
"quality_factors": [
{
"type": "R(merge)",
"value": 2.743
},
{
"type": "I/SigI",
"value": 2.240
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.340,3.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 2.140
},
{
"type": "I/SigI",
"value": 3.010
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.450,3.340],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.765
},
{
"type": "I/SigI",
"value": 3.650
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.570,3.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.460
},
{
"type": "I/SigI",
"value": 4.780
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.710,3.570],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.091
},
{
"type": "I/SigI",
"value": 6.390
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.860,3.710],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.814
},
{
"type": "I/SigI",
"value": 8.350
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.030,3.860],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "I/SigI",
"value": 10.660
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.230,4.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "I/SigI",
"value": 12.790
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.460,4.230],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 16.510
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.730,4.460],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 19.880
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.050,4.730],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 23.130
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.460,5.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 27.010
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.980,5.460],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.690,5.980],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 33.790
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.720,6.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 41.090
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.460,7.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [13.370,9.460],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 66.700
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [147.082,13.370],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 80.500
},
{
"type": "Completeness",
"value": 99.500
}
]
}
]
}