Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ae74304f22c8a8dd32f6a52d6305ba7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.99,
"b": 90.41,
"c": 89.74,
"alpha": 90.00,
"beta": 111.71,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,2.000],
"number_observations_unique": 65977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 19.120
},
{
"type": "Completeness",
"value": 98.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.000],
"number_observations": 36459,
"number_observations_unique": 8871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations": 30287,
"number_observations_unique": 7334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [2.300,2.200],
"number_observations": 24015,
"number_observations_unique": 5941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 94.300
}
]
},
{
"resolution_limits": [2.400,2.300],
"number_observations": 21379,
"number_observations_unique": 5157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations": 18400,
"number_observations_unique": 4437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [2.600,2.500],
"number_observations": 15570,
"number_observations_unique": 3753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations": 13294,
"number_observations_unique": 3201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 17.9
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [2.800,2.700],
"number_observations": 11704,
"number_observations_unique": 2817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [2.900,2.800],
"number_observations": 10167,
"number_observations_unique": 2443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 22.7
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations": 8719,
"number_observations_unique": 2098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 25.1
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 47396,
"number_observations_unique": 11438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 31.8
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 24865,
"number_observations_unique": 5970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 40.2
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 8343,
"number_observations_unique": 2003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 39.8
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [100,10.000],
"number_observations": 1949,
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 42.8
},
{
"type": "Completeness",
"value": 90.700
}
]
}
]
}