Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a8bab8b32b23ca326a1d450fc8cd4aa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 35.716,
"b": 54.105,
"c": 55.633,
"alpha": 90.0,
"beta": 100.1,
"gamma": 90.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.58],
"number_observations_unique": 28206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.68
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.580],
"number_observations_unique": 2509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 1.94
},
{
"type": "Completeness",
"value": 87.700
}
]
},
{
"resolution_limits": [1.700,1.640],
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [1.780,1.700],
"number_observations_unique": 2833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.870,1.780],
"number_observations_unique": 2877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.990,1.870],
"number_observations_unique": 2876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.140,1.990],
"number_observations_unique": 2855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.360,2.140],
"number_observations_unique": 2868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.700,2.360],
"number_observations_unique": 2885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.400,2.700],
"number_observations_unique": 2898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [50.000,3.400],
"number_observations_unique": 2830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 96.000
}
]
}
]
}