Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "feaa46f112eff7f12ee82f06c2313858",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 82.61,
"b": 143.12,
"c": 145.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95369],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [145.610,2.800],
"number_observations_unique": 43312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 46056,
"number_observations_unique": 6259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "R(meas)",
"value": 0.836
},
{
"type": "R(pim)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.130,2.950],
"number_observations": 43234,
"number_observations_unique": 5878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "R(pim)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.350,3.130],
"number_observations": 40796,
"number_observations_unique": 5568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.610,3.350],
"number_observations": 37761,
"number_observations_unique": 5179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.960,3.610],
"number_observations": 34773,
"number_observations_unique": 4790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [4.430,3.960],
"number_observations": 31258,
"number_observations_unique": 4345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [5.110,4.430],
"number_observations": 27609,
"number_observations_unique": 3893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [6.260,5.110],
"number_observations": 22823,
"number_observations_unique": 3289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [8.850,6.260],
"number_observations": 17325,
"number_observations_unique": 2595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [43.418,8.850],
"number_observations": 10147,
"number_observations_unique": 1516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
}
]
}
]
}