Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e33d598f5f25c9d2da6f5f47a6e6b3ec",
"space_group_name": "P 31",
"unit_cell": {
"a": 79.345,
"b": 79.345,
"c": 50.174,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.750],
"number_observations_unique": 35357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.750],
"number_observations_unique": 3383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations_unique": 3423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.970,1.890],
"number_observations_unique": 3566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.070,1.970],
"number_observations_unique": 3607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.200,2.070],
"number_observations_unique": 3528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.380,2.200],
"number_observations_unique": 3588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.610,2.380],
"number_observations_unique": 3569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.990,2.610],
"number_observations_unique": 3580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [3.770,2.990],
"number_observations_unique": 3568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [50.000,3.770],
"number_observations_unique": 3545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
}
]
}
]
}