Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eed634a852c60ccb9f036afd50fb5129",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 92.8,
"b": 92.8,
"c": 129.5,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.440,2.740],
"number_observations": 353349,
"number_observations_unique": 17471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 19.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.225
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.840,2.740],
"number_observations": 35038,
"number_observations_unique": 1746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.921
},
{
"type": "R(meas)",
"value": 0.945
},
{
"type": "I/SigI",
"value": 4.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.068
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [3.000,2.840],
"number_observations": 50662,
"number_observations_unique": 2356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.632
},
{
"type": "R(meas)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 6.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.503
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.200,3.000],
"number_observations": 49562,
"number_observations_unique": 2301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 9.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.539
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.500,3.200],
"number_observations": 54107,
"number_observations_unique": 2554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 15.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.185
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 56386,
"number_observations_unique": 2739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.586
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 73746,
"number_observations_unique": 3992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 32.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.473
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 27288,
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 39.120
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.918
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [46.440,10.000],
"number_observations": 6560,
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 35.690
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 15.884
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}