Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54d9cb43397a4ca0be6b2efb84e86ed8",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 113.904,
"b": 164.034,
"c": 47.284,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.476,1.870],
"number_observations_unique": 74220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.870],
"number_observations": 43796,
"number_observations_unique": 10729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.090,1.970],
"number_observations": 41291,
"number_observations_unique": 10094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.240,2.090],
"number_observations": 39269,
"number_observations_unique": 9569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.410,2.240],
"number_observations": 36465,
"number_observations_unique": 8902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.640,2.410],
"number_observations": 33925,
"number_observations_unique": 8252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.960,2.640],
"number_observations": 30604,
"number_observations_unique": 7463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.410,2.960],
"number_observations": 27076,
"number_observations_unique": 6621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [4.180,3.410],
"number_observations": 22960,
"number_observations_unique": 5650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [5.910,4.180],
"number_observations": 17895,
"number_observations_unique": 4467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [28.476,5.910],
"number_observations": 9383,
"number_observations_unique": 2473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}