Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab6e34a8d88eebcb2532b77107e9740e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.012,
"b": 64.816,
"c": 127.124,
"alpha": 90.00,
"beta": 102.37,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.980],
"number_observations": 388685,
"number_observations_unique": 77326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations_unique": 3839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "R(meas)",
"value": 0.854
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 3829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "R(meas)",
"value": 0.689
},
{
"type": "R(pim)",
"value": 0.297
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 3912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [2.130,2.090],
"number_observations_unique": 3855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.548
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [2.180,2.130],
"number_observations_unique": 3869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [2.230,2.180],
"number_observations_unique": 3897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "R(meas)",
"value": 0.418
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.290,2.230],
"number_observations_unique": 3668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.350,2.290],
"number_observations_unique": 3743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations_unique": 3923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 3956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.580,2.490],
"number_observations_unique": 3868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.690,2.580],
"number_observations_unique": 3907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations_unique": 3635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.960,2.810],
"number_observations_unique": 3955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.140,2.960],
"number_observations_unique": 3923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.390,3.140],
"number_observations_unique": 3947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 3767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.260,3.730],
"number_observations_unique": 3980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.370,4.260],
"number_observations_unique": 3888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.000,5.370],
"number_observations_unique": 3965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}