Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01115fe7211bb7f881c8133dd0f376c4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.304,
"b": 59.640,
"c": 62.698,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.40],
"number_observations_unique": 33485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 10.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.40],
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.645
},
{
"type": "R(meas)",
"value": 0.681
},
{
"type": "R(pim)",
"value": 0.213
},
{
"type": "Completeness",
"value": 79.9
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [1.45,1.42],
"number_observations_unique": 1418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(meas)",
"value": 0.638
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "Completeness",
"value": 84.7
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.48,1.45],
"number_observations_unique": 1519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "Completeness",
"value": 89.4
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [1.51,1.48],
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.54,1.51],
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.430
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.58,1.54],
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.62,1.58],
"number_observations_unique": 1682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.66,1.62],
"number_observations_unique": 1704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.360
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.71,1.66],
"number_observations_unique": 1703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.76,1.71],
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.90,1.83],
"number_observations_unique": 1712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.99,1.90],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.09,1.99],
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.22,2.09],
"number_observations_unique": 1716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.39,2.22],
"number_observations_unique": 1729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.63,2.39],
"number_observations_unique": 1737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.02,2.63],
"number_observations_unique": 1747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.80,3.02],
"number_observations_unique": 1773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,3.80],
"number_observations_unique": 1886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}