Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b5a8995db2ac083c2951b8f83ecbf03",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.293,
"b": 73.008,
"c": 52.666,
"alpha": 90.00,
"beta": 109.31,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.745,0.95],
"number_observations_unique": 188823,
"quality_factors": [
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 92.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.01,0.95],
"number_observations": 102758,
"number_observations_unique": 32857,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.531
},
{
"type": "R(meas)",
"value": 1.728
},
{
"type": "I/SigI",
"value": 0.72
},
{
"type": "Completeness",
"value": 0.664
},
{
"type": "Redundancy",
"value": 3.13
},
{
"type": "CC(1/2)",
"value": 0.301
}
]
},
{
"resolution_limits": [1.08,1.01],
"number_observations": 177258,
"number_observations_unique": 30837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.834
},
{
"type": "R(meas)",
"value": 0.912
},
{
"type": "I/SigI",
"value": 1.73
},
{
"type": "Completeness",
"value": 0.932
},
{
"type": "Redundancy",
"value": 5.75
},
{
"type": "CC(1/2)",
"value": 0.691
}
]
},
{
"resolution_limits": [1.16,1.08],
"number_observations": 194076,
"number_observations_unique": 28717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 3.88
},
{
"type": "Completeness",
"value": 0.978
},
{
"type": "Redundancy",
"value": 6.76
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.27,1.16],
"number_observations": 181148,
"number_observations_unique": 26393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 6.39
},
{
"type": "Completeness",
"value": 0.986
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.42,1.27],
"number_observations": 165709,
"number_observations_unique": 23987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 9.85
},
{
"type": "Completeness",
"value": 0.992
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.64,1.42],
"number_observations": 144535,
"number_observations_unique": 21106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 16.34
},
{
"type": "Completeness",
"value": 0.995
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.01,1.64],
"number_observations": 124364,
"number_observations_unique": 17882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 25.43
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.95
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.84,2.01],
"number_observations": 97004,
"number_observations_unique": 13872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 33.21
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,2.84],
"number_observations": 53422,
"number_observations_unique": 7733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 36.89
},
{
"type": "Completeness",
"value": 0.992
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}