Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96c216d2945f2b8e7d76cdd8f59cb5b1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.33,
"b": 55.91,
"c": 82.75,
"alpha": 90.00,
"beta": 101.71,
"gamma": 90.00
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.44,1.8],
"number_observations_unique": 111525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07200000000000001
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 7.81
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.56
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.91,1.80],
"number_observations_unique": 17959,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.282
},
{
"type": "R(meas)",
"value": 3.846
},
{
"type": "CC(1/2)",
"value": 0.21600000000000003
}
]
},
{
"resolution_limits": [2.04,1.91],
"number_observations_unique": 16857,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.665
},
{
"type": "R(meas)",
"value": 1.9580000000000002
},
{
"type": "CC(1/2)",
"value": 0.498
}
]
},
{
"resolution_limits": [2.2,2.04],
"number_observations_unique": 15773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.8390000000000001
},
{
"type": "CC(1/2)",
"value": 0.8420000000000001
}
]
},
{
"resolution_limits": [2.41,2.20],
"number_observations_unique": 14540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.34700000000000003
},
{
"type": "R(meas)",
"value": 0.40700000000000003
},
{
"type": "CC(1/2)",
"value": 0.9520000000000001
}
]
},
{
"resolution_limits": [2.7,2.41],
"number_observations_unique": 13178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19699999999999998
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.11,2.70],
"number_observations_unique": 11656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.11800000000000001
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.81,3.11],
"number_observations_unique": 9761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.37,3.81],
"number_observations_unique": 7608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036000000000000004
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [47.44,5.37],
"number_observations_unique": 4191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.036000000000000004
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}