Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90b70c8abfcf8608da2544fc068f5cb0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.548,
"b": 84.040,
"c": 103.344,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44,1.90],
"number_observations_unique": 50721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2088
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.09284
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 99.82
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [44,3.79],
"number_observations_unique": 3624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 20.0
},
{
"type": "Completeness",
"value": 99.97
},
{
"type": "Redundancy",
"value": 5.49
}
]
},
{
"resolution_limits": [3.79,3.01],
"number_observations_unique": 3458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.93
}
]
},
{
"resolution_limits": [3.01,2.63],
"number_observations_unique": 3415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.638
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.17
}
]
},
{
"resolution_limits": [2.63,2.39],
"number_observations_unique": 3391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.724
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.94
},
{
"type": "Redundancy",
"value": 5.82
}
]
},
{
"resolution_limits": [2.39,2.22],
"number_observations_unique": 3390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.582
},
{
"type": "R(meas)",
"value": 1.045
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.74
}
]
},
{
"resolution_limits": [2.22,2.09],
"number_observations_unique": 3387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 2.278
},
{
"type": "I/SigI",
"value": 2.01
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.93
}
]
},
{
"resolution_limits": [2.09,1.98],
"number_observations_unique": 3351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.954
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 99.97
},
{
"type": "Redundancy",
"value": 6.08
}
]
},
{
"resolution_limits": [1.98,1.90],
"number_observations_unique": 3343,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.165
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.14
}
]
}
]
}