Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae3bda92e9c75f4452e3c1c321eb1164",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 107.06,
"b": 107.06,
"c": 243.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.37,4.34],
"number_observations_unique": 5518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 17.5
},
{
"type": "Completeness",
"value": 90.77
},
{
"type": "Redundancy",
"value": 5.01
}
]
},
"refln_shells": [
{
"resolution_limits": [4.49,4.34],
"number_observations_unique": 123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 21.21
},
{
"type": "Redundancy",
"value": 4.46
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [4.67,4.49],
"number_observations_unique": 510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "R(pim)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 86.15
},
{
"type": "Redundancy",
"value": 5.16
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [4.89,4.67],
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.463
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.27
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [5.14,4.89],
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 99.83
},
{
"type": "Redundancy",
"value": 5.23
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [5.47,5.14],
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.22
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [5.89,5.47],
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 99.83
},
{
"type": "Redundancy",
"value": 5.16
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [6.48,5.89],
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.13
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.41,6.48],
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 16.2
},
{
"type": "Completeness",
"value": 99.67
},
{
"type": "Redundancy",
"value": 5.03
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.33,7.41],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 38.6
},
{
"type": "Completeness",
"value": 99.68
},
{
"type": "Redundancy",
"value": 4.79
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [49.38,9.33],
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 56.6
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 4.35
}
]
}
]
}