Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7bc31b83955ec029be7f61ad620487f8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 29.984,
"b": 68.476,
"c": 61.675,
"alpha": 90.00,
"beta": 99.61,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.810,1.750],
"number_observations": 100635,
"number_observations_unique": 24664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.750],
"number_observations": 13348,
"number_observations_unique": 3531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [1.960,1.840],
"number_observations": 14272,
"number_observations_unique": 3399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.090,1.960],
"number_observations": 13423,
"number_observations_unique": 3204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.260,2.090],
"number_observations": 12409,
"number_observations_unique": 2973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.470,2.260],
"number_observations": 11466,
"number_observations_unique": 2752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.770,2.470],
"number_observations": 10248,
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.200,2.770],
"number_observations": 8887,
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.910,3.200],
"number_observations": 7521,
"number_observations_unique": 1872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [5.530,3.910],
"number_observations": 5801,
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [28.526,5.530],
"number_observations": 3260,
"number_observations_unique": 823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}