Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6bba9f8b462b7da8ae246d4a364a1162",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 90.136,
"b": 90.136,
"c": 106.678,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.996,1.590],
"number_observations": 670799,
"number_observations_unique": 129159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 12.170
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.590],
"number_observations": 107590,
"number_observations_unique": 20865,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.159
},
{
"type": "R(meas)",
"value": 1.291
},
{
"type": "I/SigI",
"value": 1.170
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [1.810,1.690],
"number_observations": 103258,
"number_observations_unique": 19667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.693
},
{
"type": "R(meas)",
"value": 0.771
},
{
"type": "I/SigI",
"value": 2.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [1.950,1.810],
"number_observations": 90589,
"number_observations_unique": 18219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 3.970
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.140,1.950],
"number_observations": 89599,
"number_observations_unique": 16866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 8.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.390,2.140],
"number_observations": 79269,
"number_observations_unique": 15192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 13.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.760,2.390],
"number_observations": 70397,
"number_observations_unique": 13430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 19.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.380,2.760],
"number_observations": 59771,
"number_observations_unique": 11338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 27.920
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.770,3.380],
"number_observations": 44929,
"number_observations_unique": 8746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 36.490
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [62.996,4.770],
"number_observations": 25397,
"number_observations_unique": 4836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 39.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}