Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c3e39c3a068f3fc6c079d7af8e73295",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 99.568,
"b": 163.551,
"c": 121.757,
"alpha": 90.00,
"beta": 99.19,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.145,2.890],
"number_observations": 603673,
"number_observations_unique": 85210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 9.780
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.085
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.070,2.890],
"number_observations": 89464,
"number_observations_unique": 13322,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.370
},
{
"type": "R(meas)",
"value": 1.484
},
{
"type": "I/SigI",
"value": 1.330
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.716
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [3.280,3.070],
"number_observations": 95659,
"number_observations_unique": 12960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 0.869
},
{
"type": "I/SigI",
"value": 2.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.381
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [3.540,3.280],
"number_observations": 87916,
"number_observations_unique": 12065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 4.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.287
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [3.880,3.540],
"number_observations": 79186,
"number_observations_unique": 11096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 7.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.136
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.330,3.880],
"number_observations": 68177,
"number_observations_unique": 10096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.753
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.000,4.330],
"number_observations": 63569,
"number_observations_unique": 8884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 17.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.155
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.100,5.000],
"number_observations": 55801,
"number_observations_unique": 7536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 17.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.405
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.560,6.100],
"number_observations": 40387,
"number_observations_unique": 5877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 20.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.872
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [49.145,8.560],
"number_observations": 23513,
"number_observations_unique": 3373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 41.070
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.971
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}