Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c4a9a711766465cf021847bae20d82a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.206,
"b": 46.019,
"c": 58.006,
"alpha": 90.00,
"beta": 92.24,
"gamma": 90.00
},
"wavelengths": [1.07020],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.96,1.77],
"number_observations": 137146,
"number_observations_unique": 25746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 89.0
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.87,1.77],
"number_observations": 12561,
"number_observations_unique": 8771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.827
},
{
"type": "R(meas)",
"value": 3.924
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 90.0
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [1.660,1.550],
"number_observations": 22985,
"number_observations_unique": 12979,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.646
},
{
"type": "R(meas)",
"value": 2.221
},
{
"type": "I/SigI",
"value": 0.390
},
{
"type": "Completeness",
"value": 85.100
}
]
},
{
"resolution_limits": [1.790,1.660],
"number_observations": 20909,
"number_observations_unique": 11930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.704
},
{
"type": "R(meas)",
"value": 0.953
},
{
"type": "I/SigI",
"value": 0.980
},
{
"type": "Completeness",
"value": 83.900
}
]
},
{
"resolution_limits": [1.960,1.790],
"number_observations": 20005,
"number_observations_unique": 11315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 2.530
},
{
"type": "Completeness",
"value": 86.500
}
]
},
{
"resolution_limits": [2.190,1.960],
"number_observations": 17686,
"number_observations_unique": 10119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 5.870
},
{
"type": "Completeness",
"value": 85.300
}
]
},
{
"resolution_limits": [2.530,2.190],
"number_observations": 15743,
"number_observations_unique": 9013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 86.700
}
]
},
{
"resolution_limits": [3.100,2.530],
"number_observations": 12735,
"number_observations_unique": 7384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 15.270
},
{
"type": "Completeness",
"value": 83.800
}
]
},
{
"resolution_limits": [4.370,3.100],
"number_observations": 9301,
"number_observations_unique": 5439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 19.960
},
{
"type": "Completeness",
"value": 80.000
}
]
},
{
"resolution_limits": [57.96,4.370],
"number_observations": 5221,
"number_observations_unique": 3043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 22.080
},
{
"type": "Completeness",
"value": 81.000
}
]
}
]
}