Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f650c72b9b05d6936598ac952dac22f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.40,
"b": 126.73,
"c": 99.34,
"alpha": 90.00,
"beta": 101.71,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.420,1.800],
"number_observations": 379956,
"number_observations_unique": 113999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.310
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.800],
"number_observations": 23665,
"number_observations_unique": 9612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 82.200
},
{
"type": "Redundancy",
"value": 2.450
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations": 35766,
"number_observations_unique": 11265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.160
}
]
},
{
"resolution_limits": [2.030,1.940],
"number_observations": 38403,
"number_observations_unique": 11498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.320
}
]
},
{
"resolution_limits": [2.130,2.030],
"number_observations": 38430,
"number_observations_unique": 11539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.310
}
]
},
{
"resolution_limits": [2.270,2.130],
"number_observations": 38493,
"number_observations_unique": 11624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.290
}
]
},
{
"resolution_limits": [2.440,2.270],
"number_observations": 38640,
"number_observations_unique": 11606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.690,2.440],
"number_observations": 39724,
"number_observations_unique": 11655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.380
}
]
},
{
"resolution_limits": [3.080,2.690],
"number_observations": 40846,
"number_observations_unique": 11686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.470
}
]
},
{
"resolution_limits": [3.870,3.080],
"number_observations": 41931,
"number_observations_unique": 11709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.550
}
]
},
{
"resolution_limits": [23.420,3.870],
"number_observations": 44058,
"number_observations_unique": 11805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.690
}
]
}
]
}