Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30b822035d3d2aeadf7f0d74d415d255",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.892,
"b": 45.098,
"c": 58.294,
"alpha": 90.00,
"beta": 101.78,
"gamma": 90.00
},
"wavelengths": [0.91814],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.5],
"number_observations_unique": 34204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 10.92
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.54,1.50],
"number_observations_unique": 2515,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.26
},
{
"type": "R(meas)",
"value": 1.4709999999999999
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [1.58,1.54],
"number_observations_unique": 2451,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.034
},
{
"type": "R(meas)",
"value": 1.206
},
{
"type": "CC(1/2)",
"value": 0.616
}
]
},
{
"resolution_limits": [1.63,1.58],
"number_observations_unique": 2380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.794
},
{
"type": "R(meas)",
"value": 0.932
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [1.68,1.63],
"number_observations_unique": 2341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "CC(1/2)",
"value": 0.73
}
]
},
{
"resolution_limits": [1.73,1.68],
"number_observations_unique": 2233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.6409999999999999
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [1.79,1.73],
"number_observations_unique": 2180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.41200000000000003
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [1.86,1.79],
"number_observations_unique": 2113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [1.94,1.86],
"number_observations_unique": 2022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.02,1.94],
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.17800000000000002
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.12,2.02],
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.24,2.12],
"number_observations_unique": 1775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09699999999999999
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [2.37,2.24],
"number_observations_unique": 1684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.09300000000000001
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [2.54,2.37],
"number_observations_unique": 1571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.74,2.54],
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055999999999999994
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.0,2.74],
"number_observations_unique": 1337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.05
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.35,3.00],
"number_observations_unique": 1208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.87,3.35],
"number_observations_unique": 1086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028999999999999998
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.74,3.87],
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028999999999999998
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [6.71,4.74],
"number_observations_unique": 725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027000000000000003
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [50.0,6.71],
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027000000000000003
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}