Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c243f4c2921a04c079aed01ce46e8776",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 132.218,
"b": 132.218,
"c": 103.102,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97710],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.700],
"number_observations": 401615,
"number_observations_unique": 113561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 13.160
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.54
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.700],
"number_observations": 64330,
"number_observations_unique": 18203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.685
},
{
"type": "R(meas)",
"value": 0.810
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.53
}
]
},
{
"resolution_limits": [1.930,1.800],
"number_observations": 60571,
"number_observations_unique": 17119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.476
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.080,1.930],
"number_observations": 56574,
"number_observations_unique": 15951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 6.570
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.280,2.080],
"number_observations": 52502,
"number_observations_unique": 14747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 10.290
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.550,2.280],
"number_observations": 48081,
"number_observations_unique": 13398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 14.650
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.940,2.550],
"number_observations": 42297,
"number_observations_unique": 11858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 19.280
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.600,2.940],
"number_observations": 35355,
"number_observations_unique": 10031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 27.620
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.070,3.600],
"number_observations": 26881,
"number_observations_unique": 7811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 34.870
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [50.0,5.070],
"number_observations": 15024,
"number_observations_unique": 4443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 35.790
},
{
"type": "Completeness",
"value": 98.100
}
]
}
]
}