Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "099c2c4112adf1d09827a125c5073993",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.649,
"b": 56.463,
"c": 48.269,
"alpha": 90.0,
"beta": 110.1,
"gamma": 90.0
},
"wavelengths": [1.12710],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.347,1.576],
"number_observations": 83472,
"number_observations_unique": 23617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.580],
"number_observations": 9120,
"number_observations_unique": 3115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.760,1.660],
"number_observations": 12001,
"number_observations_unique": 3283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.880,1.760],
"number_observations": 11449,
"number_observations_unique": 3116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.030,1.880],
"number_observations": 10726,
"number_observations_unique": 2920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.230,2.030],
"number_observations": 9723,
"number_observations_unique": 2658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.490,2.230],
"number_observations": 8825,
"number_observations_unique": 2423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.880,2.490],
"number_observations": 7795,
"number_observations_unique": 2146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.520,2.880],
"number_observations": 6308,
"number_observations_unique": 1779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.980,3.520],
"number_observations": 4860,
"number_observations_unique": 1399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [35.347,4.980],
"number_observations": 2665,
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}