Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29bcac4c0f50de15e3c5f20870b5b16e",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.792,
"b": 88.792,
"c": 39.552,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.130,1.150],
"number_observations": 736207,
"number_observations_unique": 109318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 19.540
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.735
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.150],
"number_observations": 117604,
"number_observations_unique": 17503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 5.610
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.719
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.300,1.220],
"number_observations": 112264,
"number_observations_unique": 16552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 8.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.783
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.410,1.300],
"number_observations": 99921,
"number_observations_unique": 15401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 11.430
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.488
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.540,1.410],
"number_observations": 100091,
"number_observations_unique": 14217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 17.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.040
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.720,1.540],
"number_observations": 88316,
"number_observations_unique": 12899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 23.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.847
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.990,1.720],
"number_observations": 72620,
"number_observations_unique": 11329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 30.280
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.410
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.440,1.990],
"number_observations": 67451,
"number_observations_unique": 9661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 37.620
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.982
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.440,2.440],
"number_observations": 49143,
"number_observations_unique": 7508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 39.060
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.545
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [36.130,3.440],
"number_observations": 28797,
"number_observations_unique": 4248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 41.150
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.779
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}