Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "91c22ed6109eaa8cc77279f34870f94a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 128.432,
"b": 110.753,
"c": 147.897,
"alpha": 90.00,
"beta": 103.59,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations": 427793,
"number_observations_unique": 68621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations_unique": 3274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.832
},
{
"type": "R(meas)",
"value": 0.959
},
{
"type": "R(pim)",
"value": 0.465
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 3375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "R(meas)",
"value": 0.916
},
{
"type": "R(pim)",
"value": 0.428
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 3462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.801
},
{
"type": "R(meas)",
"value": 0.896
},
{
"type": "R(pim)",
"value": 0.393
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 3398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "R(meas)",
"value": 0.834
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.671
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 3448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(meas)",
"value": 0.792
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 3455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "R(meas)",
"value": 0.729
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 3400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.594
},
{
"type": "R(meas)",
"value": 0.648
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 3464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.600
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 3418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "R(meas)",
"value": 0.494
},
{
"type": "R(pim)",
"value": 0.191
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 3362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.417
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 3436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 3469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 3444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 3441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 3449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 3413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 3479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 3453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.780,5.380],
"number_observations_unique": 3436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.000,6.780],
"number_observations_unique": 3545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}