Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "afdf5e1fef1a470a5812d22feacc0a44",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.29,
"b": 73.08,
"c": 52.56,
"alpha": 90.00,
"beta": 109.41,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.07,1.1],
"number_observations": 568667,
"number_observations_unique": 130448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 7.14
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.17,1.10],
"number_observations": 80896,
"number_observations_unique": 20735,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.462
},
{
"type": "R(meas)",
"value": 1.69
},
{
"type": "I/SigI",
"value": 0.77
},
{
"type": "CC(1/2)",
"value": 0.407
}
]
},
{
"resolution_limits": [1.25,1.17],
"number_observations": 87269,
"number_observations_unique": 19832,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.108
},
{
"type": "R(meas)",
"value": 1.26
},
{
"type": "I/SigI",
"value": 1.20
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [1.35,1.25],
"number_observations": 82586,
"number_observations_unique": 18465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.839
},
{
"type": "R(meas)",
"value": 0.954
},
{
"type": "I/SigI",
"value": 1.71
},
{
"type": "CC(1/2)",
"value": 0.671
}
]
},
{
"resolution_limits": [1.47,1.35],
"number_observations": 72566,
"number_observations_unique": 17035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.542
},
{
"type": "R(meas)",
"value": 0.623
},
{
"type": "I/SigI",
"value": 2.79
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [1.65,1.47],
"number_observations": 68318,
"number_observations_unique": 15376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 5.11
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [1.9,1.65],
"number_observations": 63869,
"number_observations_unique": 13621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.18
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 9.60
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.33,1.90],
"number_observations": 50577,
"number_observations_unique": 11501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 17.26
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.29,2.33],
"number_observations": 38861,
"number_observations_unique": 8916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 25.15
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}