Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e96a71fd1f831046bc7edd580fc7dace",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 224.457,
"b": 108.126,
"c": 61.135,
"alpha": 90.00,
"beta": 100.87,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.700],
"number_observations_unique": 35675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 91.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.80,2.70],
"number_observations_unique": 2585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "Completeness",
"value": 66.30
}
]
},
{
"resolution_limits": [2.91,2.80],
"number_observations_unique": 2845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "Completeness",
"value": 73.50
}
]
},
{
"resolution_limits": [3.04,2.91],
"number_observations_unique": 3272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "Completeness",
"value": 84.60
}
]
},
{
"resolution_limits": [3.20,3.04],
"number_observations_unique": 3625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 93.10
}
]
},
{
"resolution_limits": [3.40,3.20],
"number_observations_unique": 3816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [3.66,3.40],
"number_observations_unique": 3884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [4.03,3.66],
"number_observations_unique": 3891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [4.60,4.03],
"number_observations_unique": 3907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [5.77,4.60],
"number_observations_unique": 3885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [20.00,5.77],
"number_observations_unique": 3965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.50
}
]
}
]
}