Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "669f89ed8c7f3a98e30389b2ab49df9e",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 204.015,
"b": 71.797,
"c": 114.221,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,3.0],
"number_observations_unique": 34334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 10.34
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.08,3.00],
"number_observations_unique": 2443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.732
},
{
"type": "R(meas)",
"value": 0.7909999999999999
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.16,3.08],
"number_observations_unique": 2463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6459999999999999
},
{
"type": "R(meas)",
"value": 0.698
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.25,3.16],
"number_observations_unique": 2376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.544
},
{
"type": "CC(1/2)",
"value": 0.9740000000000001
}
]
},
{
"resolution_limits": [3.35,3.25],
"number_observations_unique": 2280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.40700000000000003
},
{
"type": "R(meas)",
"value": 0.44
},
{
"type": "CC(1/2)",
"value": 0.9840000000000001
}
]
},
{
"resolution_limits": [3.46,3.35],
"number_observations_unique": 2267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.33299999999999996
},
{
"type": "R(meas)",
"value": 0.361
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.59,3.46],
"number_observations_unique": 2160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.72,3.59],
"number_observations_unique": 2077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.22
},
{
"type": "R(meas)",
"value": 0.24100000000000002
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.87,3.72],
"number_observations_unique": 2023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.23
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [4.05,3.87],
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.16699999999999998
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.24,4.05],
"number_observations_unique": 1892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.47,4.24],
"number_observations_unique": 1763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11599999999999999
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.74,4.47],
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09699999999999999
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.07,4.74],
"number_observations_unique": 1589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.10800000000000001
},
{
"type": "R(meas)",
"value": 0.11699999999999999
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.48,5.07],
"number_observations_unique": 1484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.10300000000000001
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.0,5.48],
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11199999999999999
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.71,6.00],
"number_observations_unique": 1245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.10400000000000001
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.75,6.71],
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.49,7.75],
"number_observations_unique": 967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.054000000000000006
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [13.42,9.49],
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036000000000000004
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [50,13.42],
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}