Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31810a80cdd0bd183a63a7a187a8aea9",
"space_group_name": "P 1",
"unit_cell": {
"a": 67.321,
"b": 67.430,
"c": 161.775,
"alpha": 84.61,
"beta": 79.32,
"gamma": 61.99
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.80,1.350],
"number_observations_unique": 446841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.980
},
{
"type": "Completeness",
"value": 82.400
},
{
"type": "Redundancy",
"value": 1.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.350],
"number_observations": 132679,
"number_observations_unique": 82875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 79.300
}
]
},
{
"resolution_limits": [1.550,1.450],
"number_observations": 113278,
"number_observations_unique": 69168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 3.890
},
{
"type": "Completeness",
"value": 87.100
}
]
},
{
"resolution_limits": [1.750,1.550],
"number_observations": 158543,
"number_observations_unique": 94951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 8.040
},
{
"type": "Completeness",
"value": 86.800
}
]
},
{
"resolution_limits": [2.830,1.750],
"number_observations": 273328,
"number_observations_unique": 157519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.820
},
{
"type": "Completeness",
"value": 82.800
}
]
},
{
"resolution_limits": [3.370,2.830],
"number_observations": 33748,
"number_observations_unique": 18492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 41.740
},
{
"type": "Completeness",
"value": 77.100
}
]
},
{
"resolution_limits": [3.910,3.370],
"number_observations": 17111,
"number_observations_unique": 9249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 48.440
},
{
"type": "Completeness",
"value": 73.900
}
]
},
{
"resolution_limits": [4.450,3.910],
"number_observations": 9365,
"number_observations_unique": 5044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 50.620
},
{
"type": "Completeness",
"value": 69.800
}
]
},
{
"resolution_limits": [14.000,4.450],
"number_observations": 18078,
"number_observations_unique": 9460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 56.870
},
{
"type": "Completeness",
"value": 64.600
}
]
},
{
"resolution_limits": [17.000,14.000],
"number_observations": 122,
"number_observations_unique": 63,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 60.940
},
{
"type": "Completeness",
"value": 28.100
}
]
},
{
"resolution_limits": [20.000,17.000],
"number_observations": 38,
"number_observations_unique": 20,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 59.940
},
{
"type": "Completeness",
"value": 21.100
}
]
},
{
"resolution_limits": [19.80,20.000],
"quality_factors": [
]
}
]
}