Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abe63e15aa2c302d313352f9cb2e8265",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.759,
"b": 60.042,
"c": 60.242,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.500],
"number_observations": 198295,
"number_observations_unique": 28669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations_unique": 2805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.690,1.620],
"number_observations_unique": 2846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.780,1.690],
"number_observations_unique": 2845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.890,1.780],
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations_unique": 2838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.240,2.040],
"number_observations_unique": 2858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.560,2.240],
"number_observations_unique": 2884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.230,2.560],
"number_observations_unique": 2921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [50.000,3.230],
"number_observations_unique": 3006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.600
}
]
}
]
}