Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebef6c3bb9c056848e3ca5670f96821d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.286,
"b": 72.838,
"c": 52.696,
"alpha": 90.00,
"beta": 109.38,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.721,1.130],
"number_observations": 487908,
"number_observations_unique": 120304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 16.490
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.055
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.130],
"number_observations": 72708,
"number_observations_unique": 19315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "I/SigI",
"value": 2.510
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [1.280,1.200],
"number_observations": 71064,
"number_observations_unique": 18223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 3.450
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [1.380,1.280],
"number_observations": 68685,
"number_observations_unique": 17031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 5.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [1.510,1.380],
"number_observations": 64610,
"number_observations_unique": 15625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.690,1.510],
"number_observations": 59195,
"number_observations_unique": 14176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 13.720
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.950,1.690],
"number_observations": 52689,
"number_observations_unique": 12543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.390,1.950],
"number_observations": 44636,
"number_observations_unique": 10573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 39.610
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.380,2.390],
"number_observations": 34934,
"number_observations_unique": 8219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 52.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.721,3.380],
"number_observations": 19387,
"number_observations_unique": 4599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 67.750
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}