Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1cae38ecada19938c27a8899d75c04ec",
"space_group_name": "P -1",
"unit_cell": {
"a": 22.95,
"b": 15.49,
"c": 9.52,
"alpha": 88.665,
"beta": 92.764,
"gamma": 103.947
},
"wavelengths": [0.97933],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.03,1.1],
"number_observations_unique": 4615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.19
},
{
"type": "I/SigI",
"value": 3.96
},
{
"type": "Completeness",
"value": 89.4
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [1.13,1.10],
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28
},
{
"type": "R(meas)",
"value": 0.362
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [1.16,1.13],
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [1.19,1.16],
"number_observations_unique": 300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.23,1.19],
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [1.27,1.23],
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.23
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [1.32,1.27],
"number_observations_unique": 304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.3
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [1.36,1.32],
"number_observations_unique": 307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.29
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [1.42,1.36],
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.22
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "CC(1/2)",
"value": 0.92
}
]
},
{
"resolution_limits": [1.48,1.42],
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [1.56,1.48],
"number_observations_unique": 269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.64,1.56],
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [1.74,1.64],
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [1.86,1.74],
"number_observations_unique": 233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.21
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.01,1.86],
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.2,2.01],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.16
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.46,2.20],
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.84,2.46],
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [3.48,2.84],
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.92,3.48],
"number_observations_unique": 110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [15.03,4.92],
"number_observations_unique": 53,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}