Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2910896bd1325c25ef1201ee5a04c72e",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 41.623,
"b": 62.945,
"c": 82.447,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.6790],
"number_observations_unique": 6398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.690],
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.583
},
{
"type": "R(pim)",
"value": 0.307
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.744
}
]
},
{
"resolution_limits": [2.790,2.740],
"number_observations_unique": 296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(meas)",
"value": 0.690
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.678
}
]
},
{
"resolution_limits": [2.840,2.790],
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "R(meas)",
"value": 0.633
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.592
}
]
},
{
"resolution_limits": [2.900,2.840],
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.622
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "R(meas)",
"value": 0.600
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [3.030,2.960],
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [3.110,3.030],
"number_observations_unique": 304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.519
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [3.190,3.110],
"number_observations_unique": 330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.451
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [3.280,3.190],
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [3.390,3.280],
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "R(pim)",
"value": 0.168
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [3.510,3.390],
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [3.650,3.510],
"number_observations_unique": 300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.820,3.650],
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.020,3.820],
"number_observations_unique": 326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.270,4.020],
"number_observations_unique": 321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.600,4.270],
"number_observations_unique": 332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.060,4.600],
"number_observations_unique": 327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.790,5.060],
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [7.290,5.790],
"number_observations_unique": 322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,7.290],
"number_observations_unique": 381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
}
]
}