Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6870c8b61e9022aba3effa1002669b8a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.22,
"b": 108.18,
"c": 149.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.18],
"number_observations_unique": 46803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 10.03
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.24,2.18],
"number_observations_unique": 3382,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.329
},
{
"type": "R(meas)",
"value": 1.443
},
{
"type": "I/SigI",
"value": 1.37
},
{
"type": "CC(1/2)",
"value": 0.613
}
]
},
{
"resolution_limits": [2.3,2.24],
"number_observations_unique": 3316,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.099
},
{
"type": "R(meas)",
"value": 1.174
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [2.36,2.30],
"number_observations_unique": 3257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.863
},
{
"type": "R(meas)",
"value": 0.922
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [2.44,2.36],
"number_observations_unique": 3135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.761
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [2.52,2.44],
"number_observations_unique": 3053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.672
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [2.61,2.52],
"number_observations_unique": 2967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.52
},
{
"type": "R(meas)",
"value": 0.556
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [2.7,2.61],
"number_observations_unique": 2857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "R(meas)",
"value": 0.436
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.81,2.70],
"number_observations_unique": 2739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.94,2.81],
"number_observations_unique": 2652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.08,2.94],
"number_observations_unique": 2526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.25,3.08],
"number_observations_unique": 2434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.45,3.25],
"number_observations_unique": 2284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.68,3.45],
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.98,3.68],
"number_observations_unique": 2024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.36,3.98],
"number_observations_unique": 1865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.87,4.36],
"number_observations_unique": 1704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.63,4.87],
"number_observations_unique": 1506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.89,5.63],
"number_observations_unique": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [9.75,6.89],
"number_observations_unique": 1029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.0,9.75],
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}