Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35a564dde62f345571628ef1b43dbdd2",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 134.701,
"b": 134.044,
"c": 101.544,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.850,2.200],
"number_observations_unique": 46083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.380
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations": 15009,
"number_observations_unique": 4587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.250
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations": 15034,
"number_observations_unique": 4549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.290
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations": 15027,
"number_observations_unique": 4580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.270
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations": 15078,
"number_observations_unique": 4557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations": 15257,
"number_observations_unique": 4566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.330
}
]
},
{
"resolution_limits": [2.990,2.770],
"number_observations": 15468,
"number_observations_unique": 4601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.340
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations": 15959,
"number_observations_unique": 4652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.760,3.290],
"number_observations": 16504,
"number_observations_unique": 4678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.490
}
]
},
{
"resolution_limits": [4.730,3.760],
"number_observations": 16567,
"number_observations_unique": 4635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.530
}
]
},
{
"resolution_limits": [28.850,4.730],
"number_observations": 17124,
"number_observations_unique": 4678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}