Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98584075cc9587c6fdb14ff124b1890e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 76.162,
"b": 190.221,
"c": 111.863,
"alpha": 90.00,
"beta": 107.43,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.197,2.300],
"number_observations_unique": 65793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 11.570
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.307
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.300],
"number_observations": 44839,
"number_observations_unique": 10416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "R(meas)",
"value": 0.851
},
{
"type": "I/SigI",
"value": 1.690
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.305
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [2.600,2.440],
"number_observations": 43484,
"number_observations_unique": 9909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 2.640
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.388
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [2.810,2.600],
"number_observations": 40649,
"number_observations_unique": 9277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 4.870
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.382
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [3.080,2.810],
"number_observations": 37279,
"number_observations_unique": 8525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 8.250
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.373
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.440,3.080],
"number_observations": 33619,
"number_observations_unique": 7765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 14.440
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.330
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.970,3.440],
"number_observations": 29344,
"number_observations_unique": 6905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 21.190
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.250
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.840,3.970],
"number_observations": 24524,
"number_observations_unique": 5841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 25.770
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.199
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.790,4.840],
"number_observations": 19114,
"number_observations_unique": 4564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 26.120
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.188
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [37.197,6.790],
"number_observations": 10490,
"number_observations_unique": 2591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 28.460
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.049
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}