Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4da59b27b132f0ccc46e4c0cd7c6d92c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 90.074,
"b": 81.838,
"c": 93.418,
"alpha": 90.00,
"beta": 108.47,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.92,1.59],
"number_observations": 598445,
"number_observations_unique": 86545,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 13.29
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [40.92,4.74],
"number_observations": 22905,
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 57.54
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.92,3.36],
"number_observations": 41519,
"number_observations_unique": 5938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 52.67
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.92,2.75],
"number_observations": 52852,
"number_observations_unique": 7654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 33.35
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [40.92,2.38],
"number_observations": 64019,
"number_observations_unique": 9018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 19.09
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [40.92,2.13],
"number_observations": 72695,
"number_observations_unique": 10243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 10.89
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [40.92,1.94],
"number_observations": 76730,
"number_observations_unique": 11241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 5.31
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [40.92,1.80],
"number_observations": 84124,
"number_observations_unique": 12235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "R(meas)",
"value": 0.717
},
{
"type": "I/SigI",
"value": 2.30
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [40.92,1.68],
"number_observations": 90667,
"number_observations_unique": 13136,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.473
},
{
"type": "R(meas)",
"value": 1.592
},
{
"type": "I/SigI",
"value": 0.98
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [40.92,1.59],
"number_observations": 92934,
"number_observations_unique": 13740,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.886
},
{
"type": "R(meas)",
"value": 3.121
},
{
"type": "I/SigI",
"value": 0.43
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.296
}
]
}
]
}