Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2469286c2028a9cc708b757ae752f6b9",
"space_group_name": "P 1",
"unit_cell": {
"a": 64.792,
"b": 74.096,
"c": 89.939,
"alpha": 77.07,
"beta": 69.34,
"gamma": 71.93
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.4600,1.850],
"number_observations_unique": 111548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.850],
"number_observations": 26299,
"number_observations_unique": 16831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
{
"resolution_limits": [2.070,1.950],
"number_observations": 24805,
"number_observations_unique": 15763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
{
"resolution_limits": [2.210,2.070],
"number_observations": 23504,
"number_observations_unique": 14803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
{
"resolution_limits": [2.390,2.210],
"number_observations": 21991,
"number_observations_unique": 13697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
{
"resolution_limits": [2.620,2.390],
"number_observations": 20187,
"number_observations_unique": 12412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
{
"resolution_limits": [2.930,2.620],
"number_observations": 18452,
"number_observations_unique": 11200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
{
"resolution_limits": [3.380,2.930],
"number_observations": 16254,
"number_observations_unique": 9693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [4.140,3.380],
"number_observations": 13713,
"number_observations_unique": 8018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [5.850,4.140],
"number_observations": 10546,
"number_observations_unique": 6052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 83.100
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [42.281,5.850],
"number_observations": 5549,
"number_observations_unique": 3079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 77.400
},
{
"type": "Redundancy",
"value": 1.800
}
]
}
]
}