Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8420d268f8bf2632fd3a015d739b2520",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.360,
"b": 73.327,
"c": 52.932,
"alpha": 90.0,
"beta": 109.8,
"gamma": 90.0
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.679,0.98],
"number_observations_unique": 183553,
"quality_factors": [
{
"type": "I/SigI",
"value": 8.610
},
{
"type": "Completeness",
"value": 97.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.04,0.98],
"number_observations": 124115,
"number_observations_unique": 30282,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.309
},
{
"type": "R(meas)",
"value": 1.475
},
{
"type": "I/SigI",
"value": 0.65
},
{
"type": "Completeness",
"value": 0.878
},
{
"type": "Redundancy",
"value": 4.10
},
{
"type": "CC(1/2)",
"value": 0.487
}
]
},
{
"resolution_limits": [1.11,1.04],
"number_observations": 187844,
"number_observations_unique": 28434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "R(meas)",
"value": 0.699
},
{
"type": "I/SigI",
"value": 1.88
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.61
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [1.20,1.11],
"number_observations": 179391,
"number_observations_unique": 26489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 3.99
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [1.31,1.20],
"number_observations": 167802,
"number_observations_unique": 24361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 6.16
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.47,1.31],
"number_observations": 152148,
"number_observations_unique": 22098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 9.55
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.69,1.47],
"number_observations": 132616,
"number_observations_unique": 19486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 14.13
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.07,1.69],
"number_observations": 115697,
"number_observations_unique": 16473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 19.31
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.93,2.07],
"number_observations": 89112,
"number_observations_unique": 12804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 22.26
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.96
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [50.00,2.93],
"number_observations": 48885,
"number_observations_unique": 7150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 23.58
},
{
"type": "Completeness",
"value": 0.991
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}