Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a2da7eec56bc8e7fef0ff2eee1b953f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 222.646,
"b": 48.391,
"c": 86.884,
"alpha": 90.00,
"beta": 112.58,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.28],
"number_observations": 215529,
"number_observations_unique": 35603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 14.6
},
{
"type": "Completeness",
"value": 91.5
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.32,2.28],
"number_observations_unique": 1750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.642
},
{
"type": "R(meas)",
"value": 0.697
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.36,2.32],
"number_observations_unique": 1764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "R(meas)",
"value": 0.522
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "Completeness",
"value": 91.3
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [2.41,2.36],
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "Completeness",
"value": 89.7
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.46,2.41],
"number_observations_unique": 1727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 91.1
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.51,2.46],
"number_observations_unique": 1766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 91.1
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.57,2.51],
"number_observations_unique": 1718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 89.5
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.63,2.57],
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 89.4
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.70,2.63],
"number_observations_unique": 1725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 89.1
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.78,2.70],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 89.7
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.87,2.78],
"number_observations_unique": 1784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 91.6
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.98,2.87],
"number_observations_unique": 1736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 89.0
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.09,2.98],
"number_observations_unique": 1699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 87.4
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.24,3.09],
"number_observations_unique": 1875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.41,3.24],
"number_observations_unique": 1915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.62,3.41],
"number_observations_unique": 1660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 86.1
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.90,3.62],
"number_observations_unique": 1617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 81.9
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.29,3.90],
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.91,4.29],
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.19,4.91],
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 92.7
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.00,6.19],
"number_observations_unique": 2012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}