Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9803020c9338cb636c6517fb981992ba",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.828,
"b": 99.113,
"c": 107.928,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.040,2.450],
"number_observations": 235947,
"number_observations_unique": 31971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 19.210
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.380
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.450],
"number_observations": 37762,
"number_observations_unique": 5058,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.558
},
{
"type": "R(meas)",
"value": 1.674
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.466
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [2.780,2.600],
"number_observations": 35997,
"number_observations_unique": 4788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "R(meas)",
"value": 0.890
},
{
"type": "I/SigI",
"value": 2.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.518
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [3.000,2.780],
"number_observations": 33497,
"number_observations_unique": 4462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.414
},
{
"type": "I/SigI",
"value": 5.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.507
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.290,3.000],
"number_observations": 30990,
"number_observations_unique": 4138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 11.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.489
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.670,3.290],
"number_observations": 27876,
"number_observations_unique": 3749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 22.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.436
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.240,3.670],
"number_observations": 24328,
"number_observations_unique": 3330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 37.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.306
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.180,4.240],
"number_observations": 20541,
"number_observations_unique": 2852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 47.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.202
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.280,5.180],
"number_observations": 16006,
"number_observations_unique": 2253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 46.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.104
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.040,7.280],
"number_observations": 8950,
"number_observations_unique": 1341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 57.840
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.674
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}