Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "237e0896d0f3011c87ad65df6a07ae68",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 90.029,
"b": 90.029,
"c": 106.524,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.915,1.920],
"number_observations": 377781,
"number_observations_unique": 73298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 9.250
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.920],
"number_observations": 62160,
"number_observations_unique": 11799,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.154
},
{
"type": "R(meas)",
"value": 1.283
},
{
"type": "I/SigI",
"value": 1.010
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.576
}
]
},
{
"resolution_limits": [2.180,2.040],
"number_observations": 57563,
"number_observations_unique": 11182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.798
},
{
"type": "R(meas)",
"value": 0.890
},
{
"type": "I/SigI",
"value": 1.710
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [2.360,2.180],
"number_observations": 49550,
"number_observations_unique": 10369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.635
},
{
"type": "I/SigI",
"value": 2.790
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [2.580,2.360],
"number_observations": 49203,
"number_observations_unique": 9544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.415
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.880,2.580],
"number_observations": 45573,
"number_observations_unique": 8622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 8.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.330,2.880],
"number_observations": 40014,
"number_observations_unique": 7645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.070,3.330],
"number_observations": 33977,
"number_observations_unique": 6400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 23.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.750,4.070],
"number_observations": 25330,
"number_observations_unique": 4973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 28.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [62.915,5.750],
"number_observations": 14411,
"number_observations_unique": 2764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 31.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}