Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4bdcf8155be68f14e7a9233501ed4f4a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 30.30,
"b": 76.87,
"c": 113.77,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.730,1.9],
"number_observations_unique": 21749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "I/SigI",
"value": 23.5
},
{
"type": "Completeness",
"value": 99.91
},
{
"type": "Redundancy",
"value": 12.58
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.9],
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.224
},
{
"type": "R(meas)",
"value": 1.277
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 99.86
},
{
"type": "Redundancy",
"value": 12.41
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [2.05,1.97],
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.748
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 99.95
},
{
"type": "Redundancy",
"value": 12.66
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.14,2.05],
"number_observations_unique": 2143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 99.91
},
{
"type": "Redundancy",
"value": 12.68
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [2.25,2.14],
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.31
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 99.81
},
{
"type": "Redundancy",
"value": 12.93
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.39,2.25],
"number_observations_unique": 2150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 99.95
},
{
"type": "Redundancy",
"value": 12.41
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 18.8
},
{
"type": "Completeness",
"value": 99.95
},
{
"type": "Redundancy",
"value": 12.73
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.84,2.58],
"number_observations_unique": 2165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 24.8
},
{
"type": "Completeness",
"value": 99.91
},
{
"type": "Redundancy",
"value": 13.22
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.250,2.84],
"number_observations_unique": 2171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 36.3
},
{
"type": "Completeness",
"value": 99.95
},
{
"type": "Redundancy",
"value": 12.57
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.09,3.250],
"number_observations_unique": 2222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 52.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.74,4.09],
"number_observations_unique": 2353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 59.7
},
{
"type": "Completeness",
"value": 99.83
},
{
"type": "CC(1/2)",
"value": 1
}
]
}
]
}