Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b74eaf822c60b33e4b209d84444369b3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 97.561,
"b": 81.531,
"c": 51.754,
"alpha": 90.0,
"beta": 114.4,
"gamma": 90.0
},
"wavelengths": [0.97883],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.61],
"number_observations_unique": 91812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027999999999999997
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 22.15
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.65,1.61],
"number_observations_unique": 6680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.26899999999999996
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
},
{
"resolution_limits": [1.69,1.65],
"number_observations_unique": 6596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.18
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [1.74,1.69],
"number_observations_unique": 6428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.79,1.74],
"number_observations_unique": 6227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.15
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.85,1.79],
"number_observations_unique": 5967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.10800000000000001
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.92,1.85],
"number_observations_unique": 5891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.99,1.92],
"number_observations_unique": 5720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.07,1.99],
"number_observations_unique": 5377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054000000000000006
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.16,2.07],
"number_observations_unique": 5230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044000000000000004
},
{
"type": "R(meas)",
"value": 0.052000000000000005
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.27,2.16],
"number_observations_unique": 5015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.39,2.27],
"number_observations_unique": 4720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036000000000000004
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.54,2.39],
"number_observations_unique": 4543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.71,2.54],
"number_observations_unique": 4239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.036000000000000004
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.93,2.71],
"number_observations_unique": 3912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027999999999999997
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.21,2.93],
"number_observations_unique": 3685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026000000000000002
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [3.59,3.21],
"number_observations_unique": 3305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028999999999999998
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [4.14,3.59],
"number_observations_unique": 2848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027000000000000003
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [5.08,4.14],
"number_observations_unique": 2504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [7.18,5.08],
"number_observations_unique": 1907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [50,7.18],
"number_observations_unique": 1018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}