Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8cb83a6afb891ba5f03267dab28981f9",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 121.549,
"b": 121.549,
"c": 33.790,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [121.549,1.587],
"number_observations": 431353,
"number_observations_unique": 34673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.590],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.141
},
{
"type": "R(meas)",
"value": 1.249
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [1.770,1.670],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.776
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
{
"resolution_limits": [1.900,1.770],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "R(meas)",
"value": 0.476
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.100
}
]
},
{
"resolution_limits": [2.050,1.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
{
"resolution_limits": [2.240,2.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [2.510,2.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [2.900,2.510],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [3.550,2.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [5.020,3.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [121.549,5.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.700
}
]
}
]
}