Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c7bf16cfd30834594eac6e92941cc2bd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.732,
"b": 41.130,
"c": 72.310,
"alpha": 90.00,
"beta": 103.81,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.530,1.200],
"number_observations": 247125,
"number_observations_unique": 71132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 13.150
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.474
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.200],
"number_observations": 20483,
"number_observations_unique": 8818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "R(meas)",
"value": 0.415
},
{
"type": "I/SigI",
"value": 2.830
},
{
"type": "Completeness",
"value": 73.400
},
{
"type": "Redundancy",
"value": 2.323
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [1.360,1.270],
"number_observations": 35335,
"number_observations_unique": 10993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 4.690
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.214
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [1.470,1.360],
"number_observations": 38737,
"number_observations_unique": 10497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 7.150
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.690
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.610,1.470],
"number_observations": 36111,
"number_observations_unique": 9709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.719
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.800,1.610],
"number_observations": 32748,
"number_observations_unique": 8746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 14.420
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.744
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.080,1.800],
"number_observations": 29171,
"number_observations_unique": 7774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.752
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.540,2.080],
"number_observations": 24688,
"number_observations_unique": 6564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 24.950
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.761
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.590,2.540],
"number_observations": 19227,
"number_observations_unique": 5126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 28.190
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.751
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [40.530,3.590],
"number_observations": 10625,
"number_observations_unique": 2905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 30.530
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.657
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}