Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2667da6e4ce100171a07b1a66d6a33cb",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 85.396,
"b": 85.396,
"c": 104.270,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.98],
"number_observations_unique": 27555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 98.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,1.98],
"number_observations": 2295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "Completeness",
"value": 83.600
}
]
},
{
"resolution_limits": [2.13,2.05],
"number_observations": 2738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.23,2.13],
"number_observations": 2750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.35,2.23],
"number_observations": 2751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.49,2.35],
"number_observations": 2766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.32
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.69,2.49],
"number_observations": 2789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.96,2.69],
"number_observations": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.39,2.96],
"number_observations": 2811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.26,3.39],
"number_observations": 2847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50.00,4.26],
"number_observations": 3017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.400
}
]
}
]
}