Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b02c965754e310fbcb258beaaa760c1d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.790,
"b": 64.606,
"c": 76.354,
"alpha": 90.00,
"beta": 107.77,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,1.600],
"number_observations_unique": 60478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.69,1.60],
"number_observations": 29200,
"number_observations_unique": 8658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.24
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [1.79,1.69],
"number_observations": 29138,
"number_observations_unique": 8293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [1.91,1.79],
"number_observations": 27773,
"number_observations_unique": 7840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.07,1.91],
"number_observations": 26161,
"number_observations_unique": 7326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.26,2.07],
"number_observations": 24454,
"number_observations_unique": 6771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.53,2.26],
"number_observations": 22309,
"number_observations_unique": 6113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.92,2.53],
"number_observations": 19963,
"number_observations_unique": 5420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 19.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.58,2.92],
"number_observations": 17059,
"number_observations_unique": 4587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 27.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [5.06,3.58],
"number_observations": 13327,
"number_observations_unique": 3571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [14.20,5.06],
"number_observations": 6966,
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.8
},
{
"type": "Completeness",
"value": 95.30
},
{
"type": "Redundancy",
"value": 3.70
}
]
}
]
}