Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1068e4d14096bb9053de0f903866119",
"space_group_name": "P 65",
"unit_cell": {
"a": 97.677,
"b": 97.677,
"c": 80.781,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.590,2.250],
"number_observations_unique": 20902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 39.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.250],
"number_observations": 66923,
"number_observations_unique": 3024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.100
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations": 64293,
"number_observations_unique": 2888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.300
}
]
},
{
"resolution_limits": [2.690,2.520],
"number_observations": 60416,
"number_observations_unique": 2699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.400
}
]
},
{
"resolution_limits": [2.900,2.690],
"number_observations": 56615,
"number_observations_unique": 2514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.500
}
]
},
{
"resolution_limits": [3.180,2.900],
"number_observations": 52435,
"number_observations_unique": 2320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [3.560,3.180],
"number_observations": 47629,
"number_observations_unique": 2099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.700
}
]
},
{
"resolution_limits": [4.110,3.560],
"number_observations": 42604,
"number_observations_unique": 1871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.800
}
]
},
{
"resolution_limits": [5.030,4.110],
"number_observations": 35872,
"number_observations_unique": 1571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.800
}
]
},
{
"resolution_limits": [7.120,5.030],
"number_observations": 27888,
"number_observations_unique": 1229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.700
}
]
},
{
"resolution_limits": [29.728,7.120],
"number_observations": 14701,
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 21.400
}
]
}
]
}