Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2250ca27ff4edb71580f2f92bc85ea9e",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 57.818,
"b": 57.818,
"c": 88.755,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.069,2.01],
"number_observations_unique": 10246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.010],
"number_observations": 5471,
"number_observations_unique": 1372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.250,2.120],
"number_observations": 6177,
"number_observations_unique": 1409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.400,2.250],
"number_observations": 5836,
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.590,2.400],
"number_observations": 5358,
"number_observations_unique": 1236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.840,2.590],
"number_observations": 4884,
"number_observations_unique": 1147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.180,2.840],
"number_observations": 4462,
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.670,3.180],
"number_observations": 3829,
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.490,3.670],
"number_observations": 3127,
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [6.360,4.490],
"number_observations": 2392,
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [30.069,6.360],
"number_observations": 1265,
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}