Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7a2762c35190f8bd3ac6430227dc1e9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 90.22,
"b": 126.18,
"c": 97.61,
"alpha": 90.00,
"beta": 104.77,
"gamma": 90.00
},
"wavelengths": [1.05200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.06,2.63],
"number_observations_unique": 123100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 99.92
},
{
"type": "Redundancy",
"value": 10.1
}
]
},
"refln_shells": [
{
"resolution_limits": [48.06,5.56],
"number_observations_unique": 6382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 99.97
},
{
"type": "Redundancy",
"value": 11.55
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.66,4.50],
"number_observations_unique": 6316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.3
},
{
"type": "Completeness",
"value": 99.98
},
{
"type": "Redundancy",
"value": 10.83
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.50,3.93],
"number_observations_unique": 6277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.22
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.93,3.57],
"number_observations_unique": 6285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 99.98
},
{
"type": "Redundancy",
"value": 11.10
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.57,3.31],
"number_observations_unique": 6262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 99.98
},
{
"type": "Redundancy",
"value": 11.39
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.31,3.12],
"number_observations_unique": 6265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.424
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.53
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.12,2.96],
"number_observations_unique": 6280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.517
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.61
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.96,2.83],
"number_observations_unique": 6250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.648
},
{
"type": "R(meas)",
"value": 0.679
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.49
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.83,2.72],
"number_observations_unique": 6217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "R(meas)",
"value": 0.753
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 99.98
},
{
"type": "Redundancy",
"value": 7.22
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [2.72,2.63],
"number_observations_unique": 6240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.773
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 99.27
},
{
"type": "Redundancy",
"value": 3.97
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
}
]
}