Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "994a5aca682fe91c72c3b5c6c99c691a",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.723,
"b": 89.723,
"c": 106.387,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.748,1.590],
"number_observations": 609193,
"number_observations_unique": 127983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.140
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.590],
"number_observations": 71820,
"number_observations_unique": 20246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "R(meas)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 1.210
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [1.800,1.690],
"number_observations": 81654,
"number_observations_unique": 19560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "R(meas)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 2.640
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [1.950,1.800],
"number_observations": 87011,
"number_observations_unique": 18160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 5.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.130,1.950],
"number_observations": 89617,
"number_observations_unique": 16749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 10.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.390,2.130],
"number_observations": 77239,
"number_observations_unique": 15143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 14.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.750,2.390],
"number_observations": 71602,
"number_observations_unique": 13315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 20.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.370,2.750],
"number_observations": 58983,
"number_observations_unique": 11288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 25.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.760,3.370],
"number_observations": 45341,
"number_observations_unique": 8701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 30.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [62.748,4.760],
"number_observations": 25926,
"number_observations_unique": 4821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 32.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}