Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "46b04b598532a308457ea988daa1abc9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.211,
"b": 84.394,
"c": 127.943,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910,0.97940,0.97150],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.801,2.490],
"number_observations_unique": 25713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations_unique": 2488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 2553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 2533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations_unique": 2529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 2573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 2548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 2564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations_unique": 2570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [5.390,4.270],
"number_observations_unique": 2598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [150.000,5.390],
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
}
]
}