Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4aa57a8a8fcee87dce8052f69b0fb7f2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.24,
"b": 83.17,
"c": 106.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.185,1.910],
"number_observations": 161368,
"number_observations_unique": 36697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.910],
"number_observations": 6875,
"number_observations_unique": 3245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(pim)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 57.300
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.130,2.010],
"number_observations": 22402,
"number_observations_unique": 5231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.280,2.130],
"number_observations": 23360,
"number_observations_unique": 4995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.470,2.280],
"number_observations": 21973,
"number_observations_unique": 4663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.700,2.470],
"number_observations": 20565,
"number_observations_unique": 4353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.020,2.700],
"number_observations": 18585,
"number_observations_unique": 3933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.490,3.020],
"number_observations": 16662,
"number_observations_unique": 3539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.270,3.490],
"number_observations": 14095,
"number_observations_unique": 3009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [6.040,4.270],
"number_observations": 11053,
"number_observations_unique": 2392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [18.185,6.040],
"number_observations": 5798,
"number_observations_unique": 1337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
}
]
}