Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed5761f7e7dfbe76c8b78437e40f7bbc",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.27,
"b": 44.17,
"c": 73.28,
"alpha": 82.84,
"beta": 82.81,
"gamma": 82.34
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.6060],
"number_observations_unique": 16267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 11.790
},
{
"type": "Completeness",
"value": 98.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.760,2.610],
"number_observations": 9840,
"number_observations_unique": 2577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "R(meas)",
"value": 0.710
},
{
"type": "I/SigI",
"value": 2.430
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [2.950,2.760],
"number_observations": 9554,
"number_observations_unique": 2438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 3.580
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [3.190,2.950],
"number_observations": 9022,
"number_observations_unique": 2306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 5.920
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [3.490,3.190],
"number_observations": 8268,
"number_observations_unique": 2124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 9.320
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.900,3.490],
"number_observations": 7381,
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 14.850
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [4.500,3.900],
"number_observations": 6431,
"number_observations_unique": 1716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 20.510
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [5.490,4.500],
"number_observations": 5298,
"number_observations_unique": 1431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 22.480
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [7.710,5.490],
"number_observations": 4150,
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 24.210
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [50,7.710],
"number_observations": 2412,
"number_observations_unique": 641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 32.110
},
{
"type": "Completeness",
"value": 99.400
}
]
}
]
}