Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22a9179a297617dc7423a9bd13c5b70a",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 57.96,
"b": 118.27,
"c": 46.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [16.2,1.160],
"number_observations_unique": 101529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.160],
"number_observations": 183239,
"number_observations_unique": 14243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [1.300,1.220],
"number_observations": 174115,
"number_observations_unique": 13431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
{
"resolution_limits": [1.390,1.300],
"number_observations": 164648,
"number_observations_unique": 12666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
{
"resolution_limits": [1.500,1.390],
"number_observations": 153197,
"number_observations_unique": 12031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [1.640,1.500],
"number_observations": 140848,
"number_observations_unique": 11544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [1.830,1.640],
"number_observations": 130847,
"number_observations_unique": 10975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.120,1.830],
"number_observations": 121195,
"number_observations_unique": 9910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [2.590,2.120],
"number_observations": 110149,
"number_observations_unique": 8460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
{
"resolution_limits": [3.670,2.590],
"number_observations": 79095,
"number_observations_unique": 6225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [14.784,3.670],
"number_observations": 20371,
"number_observations_unique": 2044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 53.300
},
{
"type": "Redundancy",
"value": 10.000
}
]
}
]
}