Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8da6b28c825178d01d364b7eaaa5936",
"space_group_name": "P 43",
"unit_cell": {
"a": 50.225,
"b": 50.225,
"c": 51.925,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.48800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.106,1.457],
"number_observations": 118264,
"number_observations_unique": 18321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 80.800
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.460],
"number_observations": 1857,
"number_observations_unique": 714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 21.800
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [1.630,1.540],
"number_observations": 7328,
"number_observations_unique": 1699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 54.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [1.740,1.630],
"number_observations": 16337,
"number_observations_unique": 2645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.880,1.740],
"number_observations": 18817,
"number_observations_unique": 2699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.060,1.880],
"number_observations": 17789,
"number_observations_unique": 2528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.300,2.060],
"number_observations": 15951,
"number_observations_unique": 2261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.660,2.300],
"number_observations": 14408,
"number_observations_unique": 2011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.260,2.660],
"number_observations": 12328,
"number_observations_unique": 1715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.610,3.260],
"number_observations": 8786,
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [25.106,4.610],
"number_observations": 4663,
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}