Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef314042d8bd41349060581890dbeeff",
"space_group_name": "I 4 3 2",
"unit_cell": {
"a": 155.32,
"b": 155.32,
"c": 155.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [109.828,3.792],
"number_observations": 38132,
"number_observations_unique": 3401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
"refln_shells": [
{
"resolution_limits": [4.000,3.790],
"number_observations": 5798,
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 5.00
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [4.240,4.000],
"number_observations": 5096,
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [4.530,4.240],
"number_observations": 4311,
"number_observations_unique": 421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [4.890,4.530],
"number_observations": 4899,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [5.360,4.890],
"number_observations": 4388,
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [5.990,5.360],
"number_observations": 3501,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [6.920,5.990],
"number_observations": 3702,
"number_observations_unique": 306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [8.470,6.920],
"number_observations": 2922,
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [11.990,8.470],
"number_observations": 2289,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [54.914,11.990],
"number_observations": 1226,
"number_observations_unique": 134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 9.100
}
]
}
]
}