Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ad67d05ff2bf9b2c3cdc1921a863f45",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.023,
"b": 68.767,
"c": 110.270,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.500],
"number_observations": 497661,
"number_observations_unique": 71579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 3542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.937
},
{
"type": "R(meas)",
"value": 1.045
},
{
"type": "R(pim)",
"value": 0.456
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.645
}
]
},
{
"resolution_limits": [1.550,1.530],
"number_observations_unique": 3500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.875
},
{
"type": "R(meas)",
"value": 0.972
},
{
"type": "R(pim)",
"value": 0.415
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 3540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.779
},
{
"type": "R(meas)",
"value": 0.860
},
{
"type": "R(pim)",
"value": 0.359
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 3552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.700
},
{
"type": "R(meas)",
"value": 0.770
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [1.650,1.620],
"number_observations_unique": 3554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.716
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 3334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 3511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.697
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 3576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(meas)",
"value": 0.648
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 3585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "R(meas)",
"value": 0.577
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 3580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.489
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations_unique": 3603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.040,1.960],
"number_observations_unique": 3577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.130,2.040],
"number_observations_unique": 3645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.240,2.130],
"number_observations_unique": 3602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations_unique": 3389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.560,2.380],
"number_observations_unique": 3624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.820,2.560],
"number_observations_unique": 3688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.230,2.820],
"number_observations_unique": 3694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.070,3.230],
"number_observations_unique": 3759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [50.000,4.070],
"number_observations_unique": 3724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
}
]
}