Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "64b0edb3da4ceb4c58986652c2c6018f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.242,
"b": 73.089,
"c": 52.530,
"alpha": 90.00,
"beta": 109.37,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.680,1.05],
"number_observations_unique": 146686,
"quality_factors": [
{
"type": "I/SigI",
"value": 10.810
},
{
"type": "Completeness",
"value": 97.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.11,1.05],
"number_observations": 157120,
"number_observations_unique": 24345,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.040
},
{
"type": "R(meas)",
"value": 2.201
},
{
"type": "I/SigI",
"value": 0.79
},
{
"type": "Completeness",
"value": 0.932
},
{
"type": "Redundancy",
"value": 6.45
},
{
"type": "CC(1/2)",
"value": 0.413
}
]
},
{
"resolution_limits": [1.19,1.11],
"number_observations": 153819,
"number_observations_unique": 22902,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.048
},
{
"type": "R(meas)",
"value": 1.131
},
{
"type": "I/SigI",
"value": 1.68
},
{
"type": "Completeness",
"value": 0.963
},
{
"type": "Redundancy",
"value": 6.72
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [1.28,1.19],
"number_observations": 144753,
"number_observations_unique": 21300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.745
},
{
"type": "I/SigI",
"value": 2.70
},
{
"type": "Completeness",
"value": 0.970
},
{
"type": "Redundancy",
"value": 6.80
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [1.41,1.28],
"number_observations": 134429,
"number_observations_unique": 19645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "R(meas)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 4.72
},
{
"type": "Completeness",
"value": 0.977
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [1.57,1.41],
"number_observations": 121338,
"number_observations_unique": 17756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 8.98
},
{
"type": "Completeness",
"value": 0.981
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.81,1.57],
"number_observations": 107624,
"number_observations_unique": 15714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 15.98
},
{
"type": "Completeness",
"value": 0.988
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.22,1.81],
"number_observations": 93348,
"number_observations_unique": 13254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 28.04
},
{
"type": "Completeness",
"value": 0.994
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.14,2.22],
"number_observations": 71838,
"number_observations_unique": 10313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 35.82
},
{
"type": "Completeness",
"value": 0.996
},
{
"type": "Redundancy",
"value": 6.97
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,3.14],
"number_observations": 40412,
"number_observations_unique": 5772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 42.26
},
{
"type": "Completeness",
"value": 0.994
},
{
"type": "Redundancy",
"value": 7.00
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}