Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1094a2bfdfeb0bb406df3be393543235",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.262,
"b": 72.951,
"c": 52.637,
"alpha": 90.00,
"beta": 109.33,
"gamma": 90.00
},
"wavelengths": [0.89440],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.71,1.120],
"number_observations": 455655,
"number_observations_unique": 118019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 17.180
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.86
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.120],
"number_observations": 37743,
"number_observations_unique": 14864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 3.210
},
{
"type": "Completeness",
"value": 74.500
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [1.270,1.190],
"number_observations": 64914,
"number_observations_unique": 18225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 4.840
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [1.370,1.270],
"number_observations": 71498,
"number_observations_unique": 17440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 7.090
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.500,1.370],
"number_observations": 66625,
"number_observations_unique": 16064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 11.080
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.680,1.500],
"number_observations": 60838,
"number_observations_unique": 14543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 17.210
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.940,1.680],
"number_observations": 54101,
"number_observations_unique": 12846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 26.270
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.370,1.940],
"number_observations": 45878,
"number_observations_unique": 10909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 37.380
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.350,2.370],
"number_observations": 35237,
"number_observations_unique": 8404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 43.610
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.71,3.350],
"number_observations": 18821,
"number_observations_unique": 4724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 48.180
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}