Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7fc0e70b1929bf3cdd0463ed12800e86",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.023,
"b": 67.840,
"c": 82.236,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.040],
"number_observations_unique": 24401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.040],
"number_observations_unique": 2383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.200,2.110],
"number_observations_unique": 2383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.300,2.200],
"number_observations_unique": 2414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.420,2.300],
"number_observations_unique": 2428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.570,2.420],
"number_observations_unique": 2419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.770,2.570],
"number_observations_unique": 2404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.050,2.770],
"number_observations_unique": 2454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.490,3.050],
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [4.390,3.490],
"number_observations_unique": 2480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [50.000,4.390],
"number_observations_unique": 2595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
}
]
}