Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12e049f6fb93ad4b9c24e4d716b3873d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 93.507,
"b": 133.031,
"c": 122.646,
"alpha": 90.00,
"beta": 109.39,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.193,1.794],
"number_observations_unique": 242816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 106633,
"number_observations_unique": 33840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.010,1.900],
"number_observations": 106571,
"number_observations_unique": 32784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.150,2.010],
"number_observations": 102756,
"number_observations_unique": 31114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.320,2.150],
"number_observations": 99640,
"number_observations_unique": 29258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.550,2.320],
"number_observations": 95475,
"number_observations_unique": 27017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.850,2.550],
"number_observations": 90259,
"number_observations_unique": 24728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.290,2.850],
"number_observations": 84864,
"number_observations_unique": 22176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.020,3.290],
"number_observations": 75109,
"number_observations_unique": 18930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [5.690,4.020],
"number_observations": 59981,
"number_observations_unique": 14815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [35.193,5.690],
"number_observations": 32852,
"number_observations_unique": 8154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}