Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04b4f1dacbe4e4146ae0e7f278f03102",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 50.61,
"b": 50.61,
"c": 163.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.500],
"number_observations_unique": 4783,
"quality_factors": [
{
"type": "I/SigI",
"value": 26.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 34236,
"number_observations_unique": 887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.770
},
{
"type": "I/SigI",
"value": 6.430
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations": 30138,
"number_observations_unique": 767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.800,2.700],
"number_observations": 26927,
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 9.780
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.000,2.800],
"number_observations": 45392,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 113095,
"number_observations_unique": 2712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 26.810
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 57142,
"number_observations_unique": 1394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 53.260
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 19145,
"number_observations_unique": 467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 59.840
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50,10.000],
"number_observations": 4997,
"number_observations_unique": 128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 85.410
},
{
"type": "Completeness",
"value": 100.000
}
]
}
]
}