Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "136a29559567c14dcca16255d40cb210",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 58.035,
"b": 58.035,
"c": 88.714,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.94640,0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.571,1.90],
"number_observations_unique": 14172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations": 9587,
"number_observations_unique": 2584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.886
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 95.900
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations": 10236,
"number_observations_unique": 2694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.550
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations": 9616,
"number_observations_unique": 2532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations": 9960,
"number_observations_unique": 2622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations": 9998,
"number_observations_unique": 2623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 10461,
"number_observations_unique": 2742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations": 9917,
"number_observations_unique": 2608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 15.1
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations": 9987,
"number_observations_unique": 2652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 23.1
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.080,3.250],
"number_observations": 9641,
"number_observations_unique": 2622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 35.0
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [29.571,4.080],
"number_observations": 9760,
"number_observations_unique": 2673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 40.6
},
{
"type": "Completeness",
"value": 99.300
}
]
}
]
}