Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a770cbc564dff09abe5e2e1c1142325",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 99.640,
"b": 108.791,
"c": 171.177,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.210],
"number_observations_unique": 93881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 13.050
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.210],
"number_observations": 214722,
"number_observations_unique": 14912,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.004
},
{
"type": "R(meas)",
"value": 2.077
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 14.399
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [2.500,2.340],
"number_observations": 203825,
"number_observations_unique": 14119,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.242
},
{
"type": "R(meas)",
"value": 1.287
},
{
"type": "I/SigI",
"value": 2.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.436
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [2.700,2.500],
"number_observations": 186908,
"number_observations_unique": 13188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.799
},
{
"type": "R(meas)",
"value": 0.829
},
{
"type": "I/SigI",
"value": 3.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.173
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [2.960,2.700],
"number_observations": 169927,
"number_observations_unique": 12136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "R(meas)",
"value": 0.497
},
{
"type": "I/SigI",
"value": 6.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.002
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.310,2.960],
"number_observations": 153067,
"number_observations_unique": 11045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 12.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.858
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.820,3.310],
"number_observations": 123683,
"number_observations_unique": 9773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 20.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.656
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.670,3.820],
"number_observations": 113083,
"number_observations_unique": 8331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 32.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.574
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.570,4.670],
"number_observations": 94504,
"number_observations_unique": 6553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 38.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.421
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [47.835,6.570],
"number_observations": 50344,
"number_observations_unique": 3824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 48.940
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.165
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}