Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "52c30956b9e0aab513ffe716338b1693",
"space_group_name": "P 1",
"unit_cell": {
"a": 29.238,
"b": 33.124,
"c": 47.185,
"alpha": 75.75,
"beta": 88.85,
"gamma": 68.83
},
"wavelengths": [0.92020],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [16.227,1.100],
"number_observations": 117251,
"number_observations_unique": 59930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.100],
"number_observations_unique": 5757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [1.180,1.140],
"number_observations_unique": 5832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [1.240,1.180],
"number_observations_unique": 5920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.300,1.240],
"number_observations_unique": 5992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.390,1.300],
"number_observations_unique": 6016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.490,1.390],
"number_observations_unique": 6076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.640,1.490],
"number_observations_unique": 6131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.880,1.640],
"number_observations_unique": 6161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.370,1.880],
"number_observations_unique": 6212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [50.000,2.370],
"number_observations_unique": 5833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 1.900
}
]
}
]
}