Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f40ec613d0585f543b85d971c03d19ef",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.17,
"b": 44.29,
"c": 114.71,
"alpha": 90.0,
"beta": 92.8,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.573,1.700],
"number_observations_unique": 80105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.700],
"number_observations": 26760,
"number_observations_unique": 9190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.348
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 75.100
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.900,1.790],
"number_observations": 36105,
"number_observations_unique": 10987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.030,1.900],
"number_observations": 36650,
"number_observations_unique": 10577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.190,2.030],
"number_observations": 35144,
"number_observations_unique": 9998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.400,2.190],
"number_observations": 32960,
"number_observations_unique": 9270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.690,2.400],
"number_observations": 30577,
"number_observations_unique": 8435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.100,2.690],
"number_observations": 27928,
"number_observations_unique": 7510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.800,3.100],
"number_observations": 23915,
"number_observations_unique": 6380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.380,3.800],
"number_observations": 18420,
"number_observations_unique": 4991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [36.681,5.380],
"number_observations": 9927,
"number_observations_unique": 2767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}