Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69261d55d4af2a2ffb703cfa25001f29",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 80.06,
"b": 80.06,
"c": 95.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [95.280,1.900],
"number_observations": 305910,
"number_observations_unique": 25108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.900],
"number_observations": 43587,
"number_observations_unique": 3588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "R(meas)",
"value": 0.686
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.120,2.000],
"number_observations": 43515,
"number_observations_unique": 3377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [2.270,2.120],
"number_observations": 39708,
"number_observations_unique": 3233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [2.450,2.270],
"number_observations": 35097,
"number_observations_unique": 2995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [2.690,2.450],
"number_observations": 35375,
"number_observations_unique": 2761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
{
"resolution_limits": [3.000,2.690],
"number_observations": 30627,
"number_observations_unique": 2536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [3.470,3.000],
"number_observations": 27430,
"number_observations_unique": 2237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [4.250,3.470],
"number_observations": 23591,
"number_observations_unique": 1927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [6.010,4.250],
"number_observations": 17479,
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
}
]
},
{
"resolution_limits": [95.280,6.010],
"number_observations": 9501,
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
}
]
}