Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9d90412d265fd711a69956a2345d478",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 90.050,
"b": 90.050,
"c": 106.788,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.979,1.780],
"number_observations": 475284,
"number_observations_unique": 93532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 14.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.780],
"number_observations": 67330,
"number_observations_unique": 15103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.950
},
{
"type": "R(meas)",
"value": 1.078
},
{
"type": "I/SigI",
"value": 1.290
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.516
}
]
},
{
"resolution_limits": [2.010,1.880],
"number_observations": 73643,
"number_observations_unique": 14242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 2.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [2.170,2.010],
"number_observations": 70048,
"number_observations_unique": 13222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 4.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.380,2.170],
"number_observations": 61526,
"number_observations_unique": 12186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 8.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.660,2.380],
"number_observations": 59637,
"number_observations_unique": 11062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 13.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.070,2.660],
"number_observations": 49420,
"number_observations_unique": 9663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 21.380
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.760,3.070],
"number_observations": 43788,
"number_observations_unique": 8226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 35.360
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.310,3.760],
"number_observations": 31604,
"number_observations_unique": 6323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 45.980
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [62.979,5.310],
"number_observations": 18288,
"number_observations_unique": 3505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 49.890
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}