Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1cf25ff30f45aea6678845e86d7418f0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.058,
"b": 73.496,
"c": 52.116,
"alpha": 90.00,
"beta": 109.02,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.320,1.04],
"number_observations": 991265,
"number_observations_unique": 145728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 9.690
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.545
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.11,1.04],
"number_observations": 147693,
"number_observations_unique": 24797,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.933
},
{
"type": "R(meas)",
"value": 2.106
},
{
"type": "I/SigI",
"value": 0.75
},
{
"type": "Completeness",
"value": 0.939
},
{
"type": "Redundancy",
"value": 5.96
},
{
"type": "CC(1/2)",
"value": 0.347
}
]
},
{
"resolution_limits": [1.18,1.11],
"number_observations": 155013,
"number_observations_unique": 23206,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.080
},
{
"type": "R(meas)",
"value": 1.174
},
{
"type": "I/SigI",
"value": 1.64
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.68
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [1.28,1.18],
"number_observations": 146553,
"number_observations_unique": 21656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.720
},
{
"type": "I/SigI",
"value": 2.87
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [1.40,1.28],
"number_observations": 134889,
"number_observations_unique": 19899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 4.97
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.78
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [1.57,1.40],
"number_observations": 119101,
"number_observations_unique": 18084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 8.92
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.59
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.81,1.57],
"number_observations": 101718,
"number_observations_unique": 15955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 15.37
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.38
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.21,1.81],
"number_observations": 84645,
"number_observations_unique": 13485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 24.68
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.28
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.13,2.21],
"number_observations": 64884,
"number_observations_unique": 10433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 30.27
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.22
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,3.13],
"number_observations": 36769,
"number_observations_unique": 5843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 34.69
},
{
"type": "Completeness",
"value": 0.986
},
{
"type": "Redundancy",
"value": 6.29
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}