Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1028b5fa2a3a7bfd701372a7d167198",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.926,
"b": 103.368,
"c": 122.709,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.000],
"number_observations": 93909,
"number_observations_unique": 16196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [3.050,3.000],
"number_observations_unique": 663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(meas)",
"value": 1.012
},
{
"type": "R(pim)",
"value": 0.461
},
{
"type": "Completeness",
"value": 83.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [3.110,3.050],
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.839
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [3.170,3.110],
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(meas)",
"value": 0.799
},
{
"type": "R(pim)",
"value": 0.349
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [3.230,3.170],
"number_observations_unique": 789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "R(meas)",
"value": 0.691
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [3.300,3.230],
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [3.380,3.300],
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "R(pim)",
"value": 0.198
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [3.460,3.380],
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.560,3.460],
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.660,3.560],
"number_observations_unique": 822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.780,3.660],
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.910,3.780],
"number_observations_unique": 833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [4.070,3.910],
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.260,4.070],
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.480,4.260],
"number_observations_unique": 834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.760,4.480],
"number_observations_unique": 826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.130,4.760],
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.640,5.130],
"number_observations_unique": 835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.460,5.640],
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [8.130,6.460],
"number_observations_unique": 863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.000,8.130],
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}