Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d6859085172d9b7af0871c72f4e2f08",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 77.67,
"b": 116.86,
"c": 61.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.85000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.830,0.950],
"number_observations": 1132720,
"number_observations_unique": 174560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 12.380
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.489
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.950],
"number_observations": 153633,
"number_observations_unique": 24349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.839
},
{
"type": "R(meas)",
"value": 0.914
},
{
"type": "I/SigI",
"value": 1.710
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.310
},
{
"type": "CC(1/2)",
"value": 0.771
}
]
},
{
"resolution_limits": [1.100,1.000],
"number_observations": 235024,
"number_observations_unique": 36790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.502
},
{
"type": "I/SigI",
"value": 3.290
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.388
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [1.200,1.100],
"number_observations": 162095,
"number_observations_unique": 25713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.304
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.300,1.200],
"number_observations": 124831,
"number_observations_unique": 18534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 8.020
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.735
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.400,1.300],
"number_observations": 89215,
"number_observations_unique": 13621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 9.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.550
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.500,1.400],
"number_observations": 65579,
"number_observations_unique": 10264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 12.080
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.389
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.000,1.500],
"number_observations": 293545,
"number_observations_unique": 43959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 30.910
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.678
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.000,5.000],
"number_observations": 7836,
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 59.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.790
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 904,
"number_observations_unique": 157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 60.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.758
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [38.830,20.000],
"number_observations": 58,
"number_observations_unique": 19,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 42.350
},
{
"type": "Completeness",
"value": 70.400
},
{
"type": "Redundancy",
"value": 3.053
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}