Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34955a48fbbe55f287f39ce1f4b3cc40",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 154.4,
"b": 70.1,
"c": 159.5,
"alpha": 90.0,
"beta": 113.1,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.840,2.600],
"number_observations": 330071,
"number_observations_unique": 96815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 9.210
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.409
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.600],
"number_observations": 65687,
"number_observations_unique": 19186,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.494
},
{
"type": "R(meas)",
"value": 1.774
},
{
"type": "I/SigI",
"value": 0.750
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.424
},
{
"type": "CC(1/2)",
"value": 0.480
}
]
},
{
"resolution_limits": [3.100,2.800],
"number_observations": 70171,
"number_observations_unique": 20258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.729
},
{
"type": "I/SigI",
"value": 1.850
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.464
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [3.500,3.100],
"number_observations": 58628,
"number_observations_unique": 17364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 4.940
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.376
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.500,3.500],
"number_observations": 72006,
"number_observations_unique": 20986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 13.910
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.431
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.000,4.500],
"number_observations": 37262,
"number_observations_unique": 10914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 22.310
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.414
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 20766,
"number_observations_unique": 6311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 25.690
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.290
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [15.000,10.000],
"number_observations": 3769,
"number_observations_unique": 1251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 31.810
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.013
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [47.840,15.000],
"number_observations": 1782,
"number_observations_unique": 545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 31.100
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.270
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}