Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d3c526953dd904be53b5a21d1a617a8",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 74.124,
"b": 74.124,
"c": 90.144,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97849],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.00,2.29],
"number_observations_unique": 11190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 18.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.33,2.29],
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "R(meas)",
"value": 0.444
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 68.9
},
{
"type": "Redundancy",
"value": 9.1
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.37,2.33],
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 73.1
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "Completeness",
"value": 80.5
},
{
"type": "Redundancy",
"value": 10.6
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.47,2.42],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "Completeness",
"value": 85.4
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.52,2.47],
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.650
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "Completeness",
"value": 89.7
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [2.58,2.52],
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.720
},
{
"type": "R(meas)",
"value": 0.742
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 14.6
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.64,2.58],
"number_observations_unique": 583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 17.1
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.71,2.64],
"number_observations_unique": 578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "R(meas)",
"value": 0.630
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.7
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.79,2.71],
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.5
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.89,2.79],
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "R(meas)",
"value": 0.451
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 22.3
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.99,2.89],
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.360
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 21.1
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.11,2.99],
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 18.7
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.25,3.11],
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 23.7
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.42,3.25],
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 24.6
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.63,3.42],
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 23.6
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.91,3.63],
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 23.2
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.31,3.91],
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 22.2
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.93,4.31],
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.21,4.93],
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 17.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [40.00,6.21],
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}