Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4da410d9f8ac6bf96404c44b721d33bf",
"space_group_name": "I 41",
"unit_cell": {
"a": 76.638,
"b": 76.638,
"c": 149.261,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97627],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.176,3.100],
"number_observations": 23722,
"number_observations_unique": 7772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
"refln_shells": [
{
"resolution_limits": [3.270,3.100],
"number_observations": 3367,
"number_observations_unique": 1119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "R(meas)",
"value": 0.659
},
{
"type": "R(pim)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [3.470,3.270],
"number_observations": 3371,
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.710,3.470],
"number_observations": 3075,
"number_observations_unique": 998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [4.000,3.710],
"number_observations": 2774,
"number_observations_unique": 947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.380,4.000],
"number_observations": 2719,
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [4.900,4.380],
"number_observations": 2414,
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [5.660,4.900],
"number_observations": 2081,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [6.930,5.660],
"number_observations": 1793,
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [9.800,6.930],
"number_observations": 1373,
"number_observations_unique": 456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [41.731,9.800],
"number_observations": 755,
"number_observations_unique": 250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}