Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9084b7985282bf3525a525f8be07f969",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 40.465,
"b": 74.879,
"c": 66.791,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12714],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.500],
"number_observations_unique": 3670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 98.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "Completeness",
"value": 97.70
}
]
},
{
"resolution_limits": [2.69,2.59],
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "Completeness",
"value": 98.10
}
]
},
{
"resolution_limits": [2.81,2.69],
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 97.50
}
]
},
{
"resolution_limits": [2.96,2.81],
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "Completeness",
"value": 97.80
}
]
},
{
"resolution_limits": [3.15,2.96],
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 98.10
}
]
},
{
"resolution_limits": [3.39,3.15],
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [3.73,3.39],
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [4.26,3.73],
"number_observations_unique": 373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [5.35,4.26],
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [20.00,5.35],
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.30
}
]
}
]
}