Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0376d6fd4e7a34d129087f5db016bbfd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.743,
"b": 66.455,
"c": 91.549,
"alpha": 90.00,
"beta": 90.01,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.700],
"number_observations": 285740,
"number_observations_unique": 64002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.700],
"number_observations_unique": 6229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.631
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [1.830,1.760],
"number_observations_unique": 6299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [1.910,1.830],
"number_observations_unique": 6303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.020,1.910],
"number_observations_unique": 6362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.140,2.020],
"number_observations_unique": 6380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.310,2.140],
"number_observations_unique": 6453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.540,2.310],
"number_observations_unique": 6477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.910,2.540],
"number_observations_unique": 6552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.660,2.910],
"number_observations_unique": 6252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,3.660],
"number_observations_unique": 6695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}