Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4ee79d240cfc3a5e1ee632f19032c2b1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.14,
"b": 69.76,
"c": 89.29,
"alpha": 90.00,
"beta": 102.56,
"gamma": 90.00
},
"wavelengths": [0.97720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.58,1.95],
"number_observations_unique": 38668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 8.49
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.685
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.0,1.95],
"number_observations_unique": 2877,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.959
},
{
"type": "R(meas)",
"value": 2.12
},
{
"type": "CC(1/2)",
"value": 0.494
}
]
},
{
"resolution_limits": [2.06,2.00],
"number_observations_unique": 2749,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.51
},
{
"type": "R(meas)",
"value": 1.635
},
{
"type": "CC(1/2)",
"value": 0.552
}
]
},
{
"resolution_limits": [2.12,2.06],
"number_observations_unique": 2718,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.185
},
{
"type": "R(meas)",
"value": 1.285
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [2.18,2.12],
"number_observations_unique": 2618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.977
},
{
"type": "R(meas)",
"value": 1.066
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [2.25,2.18],
"number_observations_unique": 2514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "R(meas)",
"value": 0.9
},
{
"type": "CC(1/2)",
"value": 0.82
}
]
},
{
"resolution_limits": [2.33,2.25],
"number_observations_unique": 2476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "R(meas)",
"value": 0.81
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [2.42,2.33],
"number_observations_unique": 2360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.667
},
{
"type": "R(meas)",
"value": 0.719
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [2.52,2.42],
"number_observations_unique": 2279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.63,2.52],
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.5
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [2.76,2.63],
"number_observations_unique": 2103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.34
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.91,2.76],
"number_observations_unique": 1993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.08,2.91],
"number_observations_unique": 1873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.21
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.3,3.08],
"number_observations_unique": 1789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.56,3.30],
"number_observations_unique": 1649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.12
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.9,3.56],
"number_observations_unique": 1535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.36,3.90],
"number_observations_unique": 1396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.03,4.36],
"number_observations_unique": 1217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.17,5.03],
"number_observations_unique": 1038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.72,6.17],
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [43.58,8.72],
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}