Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c20e065035fa1c4c80f453f2980d94d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.299,
"b": 72.954,
"c": 52.785,
"alpha": 90.00,
"beta": 109.48,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.705,1.00],
"number_observations_unique": 172512,
"quality_factors": [
{
"type": "I/SigI",
"value": 7.680
},
{
"type": "Completeness",
"value": 98.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.06,1.00],
"number_observations": 145208,
"number_observations_unique": 28196,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.418
},
{
"type": "R(meas)",
"value": 1.566
},
{
"type": "I/SigI",
"value": 0.74
},
{
"type": "Completeness",
"value": 0.930
},
{
"type": "Redundancy",
"value": 5.15
},
{
"type": "CC(1/2)",
"value": 0.413
}
]
},
{
"resolution_limits": [1.13,1.06],
"number_observations": 179324,
"number_observations_unique": 26519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.824
},
{
"type": "I/SigI",
"value": 1.80
},
{
"type": "Completeness",
"value": 0.994
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [1.22,1.13],
"number_observations": 167929,
"number_observations_unique": 24703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "R(meas)",
"value": 0.492
},
{
"type": "I/SigI",
"value": 3.24
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.80
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [1.34,1.22],
"number_observations": 157194,
"number_observations_unique": 22735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 4.84
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.50,1.34],
"number_observations": 141716,
"number_observations_unique": 20574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 7.81
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.73,1.50],
"number_observations": 124059,
"number_observations_unique": 18152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 12.07
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.12,1.73],
"number_observations": 109126,
"number_observations_unique": 15392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 17.95
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.09
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.99,2.12],
"number_observations": 83672,
"number_observations_unique": 11955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 21.53
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 7.00
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.00,2.99],
"number_observations": 46582,
"number_observations_unique": 6650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 23.70
},
{
"type": "Completeness",
"value": 0.996
},
{
"type": "Redundancy",
"value": 7.00
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}