Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98677e7997f57f279fe3668bfb8d7379",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.106,
"b": 60.503,
"c": 38.032,
"alpha": 90.00,
"beta": 93.07,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.697],
"number_observations_unique": 15559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.697],
"number_observations_unique": 762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 5.1
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
{
"resolution_limits": [2.070,2.020],
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [2.220,2.140],
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.2
}
]
},
{
"resolution_limits": [2.310,2.220],
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [2.410,2.310],
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [2.540,2.410],
"number_observations_unique": 777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
{
"resolution_limits": [2.700,2.540],
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [2.910,2.700],
"number_observations_unique": 784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [3.200,2.910],
"number_observations_unique": 792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [3.660,3.200],
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
{
"resolution_limits": [4.610,3.660],
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [50.000,4.610],
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.3
}
]
}
]
}