Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "869e1199d5c6a882b2f2a6875d1cbc0b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 78.999,
"b": 191.279,
"c": 151.264,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.930],
"number_observations_unique": 86000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.930],
"number_observations_unique": 4247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [2.000,1.960],
"number_observations_unique": 4253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [2.040,2.000],
"number_observations_unique": 4248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.534
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.080,2.040],
"number_observations_unique": 4298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.428
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [2.120,2.080],
"number_observations_unique": 4236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [2.170,2.120],
"number_observations_unique": 4249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.230,2.170],
"number_observations_unique": 4271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.290,2.230],
"number_observations_unique": 4270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.360,2.290],
"number_observations_unique": 4284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.430,2.360],
"number_observations_unique": 4247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.520,2.430],
"number_observations_unique": 4303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.620,2.520],
"number_observations_unique": 4274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.740,2.620],
"number_observations_unique": 4284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.880,2.740],
"number_observations_unique": 4288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.060,2.880],
"number_observations_unique": 4312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.300,3.060],
"number_observations_unique": 4311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.630,3.300],
"number_observations_unique": 4321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.160,3.630],
"number_observations_unique": 4370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.240,4.160],
"number_observations_unique": 4384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.000,5.240],
"number_observations_unique": 4550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}