Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9851a41f90f26a7ace69011692c7731a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.250,
"b": 76.277,
"c": 143.409,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations_unique": 30634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.44,2.40],
"number_observations_unique": 2436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.895
},
{
"type": "Completeness",
"value": 82.70
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.49,2.44],
"number_observations_unique": 2605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.797
},
{
"type": "Completeness",
"value": 87.90
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.53,2.49],
"number_observations_unique": 2689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.772
},
{
"type": "Completeness",
"value": 90.90
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.59,2.53],
"number_observations_unique": 2793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.753
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.64,2.59],
"number_observations_unique": 2932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.70,2.64],
"number_observations_unique": 2958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.77,2.70],
"number_observations_unique": 2930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.85,2.77],
"number_observations_unique": 2963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.93,2.85],
"number_observations_unique": 2931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.02,2.93],
"number_observations_unique": 2941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.13,3.02],
"number_observations_unique": 2943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.26,3.13],
"number_observations_unique": 2981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.41,3.26],
"number_observations_unique": 2918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.58,3.41],
"number_observations_unique": 2958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.81,3.58],
"number_observations_unique": 2945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [4.10,3.81],
"number_observations_unique": 2947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [4.52,4.10],
"number_observations_unique": 2954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [5.17,4.52],
"number_observations_unique": 2947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [6.51,5.17],
"number_observations_unique": 2968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [50.00,6.51],
"number_observations_unique": 2937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.90
}
]
}
]
}