Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "418c3060db1db1dd6b3179211ea0e0ee",
"space_group_name": "P 1",
"unit_cell": {
"a": 50.35,
"b": 93.75,
"c": 95.52,
"alpha": 67.92,
"beta": 85.94,
"gamma": 87.95
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.345,2.750],
"number_observations_unique": 39945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.750],
"number_observations": 10787,
"number_observations_unique": 5746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 94.2
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [3.070,2.900],
"number_observations": 10436,
"number_observations_unique": 5499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [3.290,3.070],
"number_observations": 9887,
"number_observations_unique": 5190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [3.550,3.290],
"number_observations": 9247,
"number_observations_unique": 4826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [3.890,3.550],
"number_observations": 8624,
"number_observations_unique": 4495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [4.350,3.890],
"number_observations": 7726,
"number_observations_unique": 4001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [5.020,4.350],
"number_observations": 6949,
"number_observations_unique": 3587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [6.150,5.020],
"number_observations": 5799,
"number_observations_unique": 2988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [8.700,6.150],
"number_observations": 4539,
"number_observations_unique": 2346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 1.9
}
]
},
{
"resolution_limits": [50.221,8.700],
"number_observations": 2453,
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 1.9
}
]
}
]
}