Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e90e01d520c9b276b9b8bce6edef2fe",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 158.718,
"b": 158.718,
"c": 85.912,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.36,3.0],
"number_observations_unique": 13240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.50
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 21.20
}
]
},
"refln_shells": [
{
"resolution_limits": [3.100,3.000],
"number_observations": 25370,
"number_observations_unique": 1198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(meas)",
"value": 9.140
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.2
}
]
},
{
"resolution_limits": [3.200,3.100],
"number_observations": 23521,
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6371
},
{
"type": "R(meas)",
"value": 6.512
},
{
"type": "I/SigI",
"value": 0.880
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.300,3.200],
"number_observations": 20629,
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4732
},
{
"type": "R(meas)",
"value": 4.836
},
{
"type": "I/SigI",
"value": 1.230
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.300],
"number_observations": 92458,
"number_observations_unique": 4283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1724
},
{
"type": "R(meas)",
"value": 1.763
},
{
"type": "I/SigI",
"value": 3.330
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 84046,
"number_observations_unique": 3959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 11.090
},
{
"type": "Completeness",
"value": 100.000
}
]
}
]
}