Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b63e4733d6737127496b31480238ad1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.76,
"b": 86.62,
"c": 39.31,
"alpha": 90.0,
"beta": 104.6,
"gamma": 90.0
},
"wavelengths": [0.80860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.3,1.63],
"number_observations_unique": 21369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 14.86
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.630],
"number_observations": 14007,
"number_observations_unique": 3337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.2
}
]
},
{
"resolution_limits": [1.850,1.730],
"number_observations": 15617,
"number_observations_unique": 3262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 3.660
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.000,1.850],
"number_observations": 14396,
"number_observations_unique": 3035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 6.370
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.190,2.000],
"number_observations": 13374,
"number_observations_unique": 2806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 11.510
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.450,2.190],
"number_observations": 12096,
"number_observations_unique": 2523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 14.990
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.820,2.450],
"number_observations": 10606,
"number_observations_unique": 2225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 22.120
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.450,2.820],
"number_observations": 8960,
"number_observations_unique": 1889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 32.030
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [4.870,3.450],
"number_observations": 6796,
"number_observations_unique": 1468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 42.960
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [43.3,4.870],
"number_observations": 3831,
"number_observations_unique": 824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 44.950
},
{
"type": "Completeness",
"value": 98.300
}
]
}
]
}