Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7363d3d04a66e5ef245b052f29eaa2d3",
"space_group_name": "P 61",
"unit_cell": {
"a": 48.52,
"b": 48.52,
"c": 46.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.60366,1.60546,1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.020,1.900],
"number_observations": 53970,
"number_observations_unique": 4976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.760
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations": 5493,
"number_observations_unique": 503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.830
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations": 5415,
"number_observations_unique": 494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.850
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations": 5356,
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.810
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations": 5422,
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.910
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations": 5553,
"number_observations_unique": 505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.910
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 5404,
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.860
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations": 5447,
"number_observations_unique": 500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.840
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations": 5283,
"number_observations_unique": 495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations": 5049,
"number_observations_unique": 496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 79.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.120
}
]
},
{
"resolution_limits": [42.020,4.090],
"number_observations": 5548,
"number_observations_unique": 507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 118.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 10.900
}
]
}
]
}