Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "244264f83282a9882f268745b77a8164",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.186,
"b": 72.726,
"c": 104.396,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.186,1.280],
"number_observations": 634184,
"number_observations_unique": 88277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 18.590
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.184
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.280],
"number_observations": 97269,
"number_observations_unique": 13677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "I/SigI",
"value": 3.520
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [1.450,1.360],
"number_observations": 95129,
"number_observations_unique": 13242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 5.530
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.560,1.450],
"number_observations": 93249,
"number_observations_unique": 12376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 8.930
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.710,1.560],
"number_observations": 81698,
"number_observations_unique": 11464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 13.220
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.920,1.710],
"number_observations": 77980,
"number_observations_unique": 10439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 21.010
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.210,1.920],
"number_observations": 67460,
"number_observations_unique": 9310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.710,2.210],
"number_observations": 53663,
"number_observations_unique": 7941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 36.250
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.820,2.710],
"number_observations": 44050,
"number_observations_unique": 6234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 45.490
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.186,3.820],
"number_observations": 23686,
"number_observations_unique": 3594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 48.480
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}