Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30f98d13acc6968996f1083fdb46c02b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.21,
"b": 47.22,
"c": 78.73,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.4950,1.130],
"number_observations_unique": 75298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.410
},
{
"type": "Completeness",
"value": 86.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.130],
"number_observations": 13719,
"number_observations_unique": 6748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 2.660
},
{
"type": "Completeness",
"value": 47.600
}
]
},
{
"resolution_limits": [1.280,1.200],
"number_observations": 26313,
"number_observations_unique": 10694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 3.610
},
{
"type": "Completeness",
"value": 80.600
}
]
},
{
"resolution_limits": [1.380,1.280],
"number_observations": 32089,
"number_observations_unique": 11779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 4.750
},
{
"type": "Completeness",
"value": 95.400
}
]
},
{
"resolution_limits": [1.510,1.380],
"number_observations": 29739,
"number_observations_unique": 10954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 7.070
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [1.690,1.510],
"number_observations": 26961,
"number_observations_unique": 10022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 10.340
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [1.950,1.690],
"number_observations": 23451,
"number_observations_unique": 8847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 14.380
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [2.390,1.950],
"number_observations": 19591,
"number_observations_unique": 7476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 19.870
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [3.370,2.390],
"number_observations": 15318,
"number_observations_unique": 5771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 23.330
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [40.4950,3.370],
"number_observations": 8250,
"number_observations_unique": 3007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 26.580
},
{
"type": "Completeness",
"value": 92.200
}
]
}
]
}