Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6bcb72d53ebfcaadbb1a75f6e56fbdee",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.028,
"b": 81.524,
"c": 93.279,
"alpha": 90.00,
"beta": 108.75,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.510,1.72],
"number_observations": 461207,
"number_observations_unique": 63607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 9.860
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.864
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.82,1.71],
"number_observations": 68750,
"number_observations_unique": 10925,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.429
},
{
"type": "R(meas)",
"value": 3.718
},
{
"type": "I/SigI",
"value": 0.57
},
{
"type": "Completeness",
"value": 0.949
},
{
"type": "Redundancy",
"value": 6.29
},
{
"type": "CC(1/2)",
"value": 0.274
}
]
},
{
"resolution_limits": [1.94,1.82],
"number_observations": 70096,
"number_observations_unique": 10318,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.714
},
{
"type": "R(meas)",
"value": 1.854
},
{
"type": "I/SigI",
"value": 1.19
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.79
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [2.10,1.94],
"number_observations": 64181,
"number_observations_unique": 9508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "R(meas)",
"value": 0.814
},
{
"type": "I/SigI",
"value": 2.71
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.75
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [2.30,2.10],
"number_observations": 61532,
"number_observations_unique": 8814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 5.40
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.98
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.57,2.30],
"number_observations": 56423,
"number_observations_unique": 7958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 9.47
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.09
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.96,2.57],
"number_observations": 49295,
"number_observations_unique": 7072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 14.75
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.97
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.62,2.96],
"number_observations": 40885,
"number_observations_unique": 5979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 24.23
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.11,3.62],
"number_observations": 32343,
"number_observations_unique": 4663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 33.33
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,5.11],
"number_observations": 17702,
"number_observations_unique": 2643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.79
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.70
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}