Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ce444d8c503740a9347dc0c14100aaf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.65,
"b": 76.86,
"c": 124.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.47,1.9],
"number_observations_unique": 29741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.81
},
{
"type": "Completeness",
"value": 91.7
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.95,1.90],
"number_observations_unique": 2119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.706
},
{
"type": "R(meas)",
"value": 0.8059999999999999
},
{
"type": "CC(1/2)",
"value": 0.693
}
]
},
{
"resolution_limits": [2.0,1.95],
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.611
},
{
"type": "CC(1/2)",
"value": 0.8420000000000001
}
]
},
{
"resolution_limits": [2.06,2.00],
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.44299999999999995
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [2.12,2.06],
"number_observations_unique": 2050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.31
},
{
"type": "R(meas)",
"value": 0.35
},
{
"type": "CC(1/2)",
"value": 0.93
}
]
},
{
"resolution_limits": [2.19,2.12],
"number_observations_unique": 1997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.27,2.19],
"number_observations_unique": 1901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.36,2.27],
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.45,2.36],
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "CC(1/2)",
"value": 0.9890000000000001
}
]
},
{
"resolution_limits": [2.56,2.45],
"number_observations_unique": 1702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.69,2.56],
"number_observations_unique": 1612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.10300000000000001
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.83,2.69],
"number_observations_unique": 1552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07400000000000001
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.0,2.83],
"number_observations_unique": 1456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.07200000000000001
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.21,3.00],
"number_observations_unique": 1359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054000000000000006
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.47,3.21],
"number_observations_unique": 1257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.8,3.47],
"number_observations_unique": 1147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.25,3.80],
"number_observations_unique": 1029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044000000000000004
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.91,4.25],
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044000000000000004
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.01,4.91],
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037000000000000005
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.5,6.01],
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}