Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c60b42d9500cf97a66b298e37eff771c",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 137.483,
"b": 137.483,
"c": 70.253,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.62,1.95],
"number_observations_unique": 49502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 25.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 26.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 4847,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.818
},
{
"type": "R(meas)",
"value": 2.874
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 25.6
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [2.1,2.02],
"number_observations_unique": 4875,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.947
},
{
"type": "R(meas)",
"value": 1.984
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 27.3
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [2.2,2.1],
"number_observations_unique": 4898,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.205
},
{
"type": "R(meas)",
"value": 1.228
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.31,2.2],
"number_observations_unique": 4894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.798
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 27
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations_unique": 4902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.450
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 27.2
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations_unique": 4909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 13
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 27.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations_unique": 4951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 26.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.33,2.91],
"number_observations_unique": 4965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 42.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 25.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.2,3.33],
"number_observations_unique": 5016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.01
},
{
"type": "I/SigI",
"value": 67.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 24.1
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
{
"resolution_limits": [48.62,4.2],
"number_observations_unique": 5245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 80.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 23.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}