Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5fded116f882faff773ec71195e3693",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.510,
"b": 94.056,
"c": 96.112,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.06,1.550],
"number_observations": 678969,
"number_observations_unique": 82889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.550],
"number_observations": 97380,
"number_observations_unique": 11950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [1.730,1.630],
"number_observations": 92748,
"number_observations_unique": 11336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [1.850,1.730],
"number_observations": 87599,
"number_observations_unique": 10671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [2.000,1.850],
"number_observations": 81918,
"number_observations_unique": 9957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [2.190,2.000],
"number_observations": 75613,
"number_observations_unique": 9166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [2.450,2.190],
"number_observations": 68917,
"number_observations_unique": 8336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [2.830,2.450],
"number_observations": 61110,
"number_observations_unique": 7387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [3.470,2.830],
"number_observations": 51928,
"number_observations_unique": 6303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [4.900,3.470],
"number_observations": 40166,
"number_observations_unique": 4945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 23.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [48.056,4.900],
"number_observations": 21590,
"number_observations_unique": 2838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.600
}
]
}
]
}