Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e633201c8d4eecef5ccfac4307c66d81",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 114.618,
"b": 164.002,
"c": 47.620,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.04300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.4760],
"number_observations_unique": 32227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.476],
"number_observations_unique": 3119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 3229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 3197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations_unique": 3204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 3202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 3239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 3200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations_unique": 3248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [5.380,4.270],
"number_observations_unique": 3257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [30.000,5.380],
"number_observations_unique": 3332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 95.000
}
]
}
]
}