Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60c970e5ad66f9b0b2d1df709895acb6",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 66.87,
"b": 89.40,
"c": 44.24,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.58],
"number_observations_unique": 36884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.556
},
{
"type": "R(meas)",
"value": 0.583
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 1850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 1800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 1822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 1814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.362
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 1818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 1822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 1826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 1816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 1845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 1872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.000,4.340],
"number_observations_unique": 2024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}