Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59fa238a277a115f0c62b95d61037bc7",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 93.96,
"b": 93.96,
"c": 188.03,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.580,2.600],
"number_observations_unique": 26667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.170
}
]
},
"refln_shells": [
{
"resolution_limits": [2.69,2.60],
"number_observations": 16451,
"number_observations_unique": 2623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [2.80,2.69],
"number_observations": 16292,
"number_observations_unique": 2594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.22
}
]
},
{
"resolution_limits": [2.93,2.80],
"number_observations": 16495,
"number_observations_unique": 2623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.23
}
]
},
{
"resolution_limits": [3.08,2.93],
"number_observations": 16523,
"number_observations_unique": 2621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.25
}
]
},
{
"resolution_limits": [3.28,3.08],
"number_observations": 16592,
"number_observations_unique": 2633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.25
}
]
},
{
"resolution_limits": [3.53,3.28],
"number_observations": 16562,
"number_observations_unique": 2659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.19
}
]
},
{
"resolution_limits": [3.88,3.53],
"number_observations": 16396,
"number_observations_unique": 2652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 14.5
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.16
}
]
},
{
"resolution_limits": [4.44,3.88],
"number_observations": 16691,
"number_observations_unique": 2685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 21.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.18
}
]
},
{
"resolution_limits": [5.60,4.44],
"number_observations": 16909,
"number_observations_unique": 2714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 31.1
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [45.58,5.60],
"number_observations": 16973,
"number_observations_unique": 2863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 45.6
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 5.89
}
]
}
]
}