Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "351f46ad744eb42e7df1a9cfd42fb5ca",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.00,
"b": 81.60,
"c": 90.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.31,1.995],
"number_observations_unique": 40813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.2
},
{
"type": "I/SigI",
"value": 8.84
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations_unique": 2961,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.303
},
{
"type": "R(meas)",
"value": 2.394
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [2.11,2.05],
"number_observations_unique": 2871,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.797
},
{
"type": "R(meas)",
"value": 1.865
},
{
"type": "CC(1/2)",
"value": 0.87
}
]
},
{
"resolution_limits": [2.17,2.11],
"number_observations_unique": 2800,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.454
},
{
"type": "R(meas)",
"value": 1.51
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.24,2.17],
"number_observations_unique": 2733,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.075
},
{
"type": "R(meas)",
"value": 1.117
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
},
{
"resolution_limits": [2.31,2.24],
"number_observations_unique": 2656,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.017
},
{
"type": "R(meas)",
"value": 1.057
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
},
{
"resolution_limits": [2.39,2.31],
"number_observations_unique": 2573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "R(meas)",
"value": 0.778
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.48,2.39],
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.642
},
{
"type": "R(meas)",
"value": 0.668
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.58,2.48],
"number_observations_unique": 2385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.53
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.7,2.58],
"number_observations_unique": 2281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.83,2.70],
"number_observations_unique": 2220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.361
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.98,2.83],
"number_observations_unique": 2088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.16,2.98],
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.21
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.38,3.16],
"number_observations_unique": 1881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.65,3.38],
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.0,3.65],
"number_observations_unique": 1617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.47,4.00],
"number_observations_unique": 1485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.16,4.47],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.32,5.16],
"number_observations_unique": 1129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.94,6.32],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [48.31,8.94],
"number_observations_unique": 522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}