Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87d830366dc38ed67e6e2eb28a9d050b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 185.00,
"b": 103.51,
"c": 296.30,
"alpha": 90.00,
"beta": 98.27,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.000],
"number_observations": 869839,
"number_observations_unique": 219058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.050,3.000],
"number_observations_unique": 10483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.920
},
{
"type": "R(meas)",
"value": 0.930
},
{
"type": "R(pim)",
"value": 0.535
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [3.110,3.050],
"number_observations_unique": 10578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.803
},
{
"type": "R(meas)",
"value": 0.795
},
{
"type": "R(pim)",
"value": 0.465
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [3.170,3.110],
"number_observations_unique": 10559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "R(meas)",
"value": 0.692
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [3.230,3.170],
"number_observations_unique": 10677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "R(meas)",
"value": 0.548
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [3.300,3.230],
"number_observations_unique": 10683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [3.380,3.300],
"number_observations_unique": 10718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [3.460,3.380],
"number_observations_unique": 10709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.325
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [3.560,3.460],
"number_observations_unique": 10909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [3.660,3.560],
"number_observations_unique": 10893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.780,3.660],
"number_observations_unique": 10959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.910,3.780],
"number_observations_unique": 11009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.070,3.910],
"number_observations_unique": 11105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.260,4.070],
"number_observations_unique": 11125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.480,4.260],
"number_observations_unique": 11154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.760,4.480],
"number_observations_unique": 11120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.130,4.760],
"number_observations_unique": 11139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.640,5.130],
"number_observations_unique": 11196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.460,5.640],
"number_observations_unique": 11276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [8.130,6.460],
"number_observations_unique": 11266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,8.130],
"number_observations_unique": 11500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}