Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c138ba4a0431f02679c8e444b59531d9",
"space_group_name": "H 3",
"unit_cell": {
"a": 121.687,
"b": 121.687,
"c": 39.955,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.830,1.600],
"number_observations_unique": 19778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.820],
"number_observations": 7630,
"number_observations_unique": 2895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.030,1.920],
"number_observations": 7294,
"number_observations_unique": 2735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.180,2.030],
"number_observations": 6882,
"number_observations_unique": 2554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.350,2.180],
"number_observations": 6566,
"number_observations_unique": 2410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.570,2.350],
"number_observations": 5980,
"number_observations_unique": 2180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.880,2.570],
"number_observations": 5530,
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.320,2.880],
"number_observations": 4901,
"number_observations_unique": 1751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [4.070,3.320],
"number_observations": 4174,
"number_observations_unique": 1482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [5.760,4.070],
"number_observations": 3279,
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [31.830,5.760],
"number_observations": 1732,
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.3
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.800
}
]
}
]
}