Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e55a5380a08595acbd80aa2dccac4e9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.380,
"b": 41.256,
"c": 72.071,
"alpha": 90.00,
"beta": 104.45,
"gamma": 90.00
},
"wavelengths": [0.97980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.300],
"number_observations": 168046,
"number_observations_unique": 58311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.882
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.300],
"number_observations_unique": 9234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "R(meas)",
"value": 0.709
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.689
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [1.480,1.380],
"number_observations_unique": 8936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 2.910
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.879
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [1.590,1.480],
"number_observations_unique": 8298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.896
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [1.750,1.590],
"number_observations_unique": 7644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.912
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.950,1.750],
"number_observations_unique": 6906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 12.720
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.929
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.250,1.950],
"number_observations_unique": 6089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 19.750
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.938
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.760,2.250],
"number_observations_unique": 5116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 24.640
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.938
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.890,2.760],
"number_observations_unique": 3932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 32.030
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.950
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [30.000,3.890],
"number_observations_unique": 2156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 35.980
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 2.991
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}