Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1218a25bb6a67493c8824cea26f070e8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 113.027,
"b": 160.485,
"c": 218.075,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.200],
"number_observations": 354588,
"number_observations_unique": 65178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "R(meas)",
"value": 0.742
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.200],
"number_observations_unique": 6217,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.809
},
{
"type": "R(meas)",
"value": 6.401
},
{
"type": "R(pim)",
"value": 4.724
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.018
}
]
},
{
"resolution_limits": [3.450,3.310],
"number_observations_unique": 6273,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.359
},
{
"type": "R(meas)",
"value": 4.803
},
{
"type": "R(pim)",
"value": 2.643
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.049
}
]
},
{
"resolution_limits": [3.600,3.450],
"number_observations_unique": 6306,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.562
},
{
"type": "R(meas)",
"value": 2.823
},
{
"type": "R(pim)",
"value": 1.981
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.191
}
]
},
{
"resolution_limits": [3.790,3.600],
"number_observations_unique": 6362,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.850
},
{
"type": "R(meas)",
"value": 2.038
},
{
"type": "R(pim)",
"value": 1.165
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.370
}
]
},
{
"resolution_limits": [4.030,3.790],
"number_observations_unique": 6454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(meas)",
"value": 0.820
},
{
"type": "R(pim)",
"value": 0.840
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [4.340,4.030],
"number_observations_unique": 6548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.396
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [4.780,4.340],
"number_observations_unique": 6641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [5.470,4.780],
"number_observations_unique": 6703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [6.890,5.470],
"number_observations_unique": 6744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [50.000,6.890],
"number_observations_unique": 6930,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}