Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6952a5fe2de6e9cf33ba42ce84344410",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.850,
"b": 109.547,
"c": 81.750,
"alpha": 90.00,
"beta": 99.39,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [109.55,2.40],
"number_observations_unique": 43912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 14.5822
},
{
"type": "Completeness",
"value": 99.63
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
"refln_shells": [
{
"resolution_limits": [2.53,2.40],
"number_observations": 21003,
"number_observations_unique": 6344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.45
},
{
"type": "I/SigI",
"value": 1.76
},
{
"type": "Completeness",
"value": 99.79
},
{
"type": "Redundancy",
"value": 3.31
}
]
},
{
"resolution_limits": [2.68,2.53],
"number_observations": 21877,
"number_observations_unique": 6080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.32
},
{
"type": "I/SigI",
"value": 2.45
},
{
"type": "Completeness",
"value": 99.93
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.87,2.68],
"number_observations": 20257,
"number_observations_unique": 5684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.22
},
{
"type": "I/SigI",
"value": 3.66
},
{
"type": "Completeness",
"value": 99.76
},
{
"type": "Redundancy",
"value": 3.56
}
]
},
{
"resolution_limits": [3.10,2.87],
"number_observations": 18628,
"number_observations_unique": 5334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "I/SigI",
"value": 5.94
},
{
"type": "Completeness",
"value": 99.84
},
{
"type": "Redundancy",
"value": 3.49
}
]
},
{
"resolution_limits": [3.39,3.10],
"number_observations": 16028,
"number_observations_unique": 4884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 10.46
},
{
"type": "Completeness",
"value": 99.75
},
{
"type": "Redundancy",
"value": 3.28
}
]
},
{
"resolution_limits": [3.79,3.39],
"number_observations": 14213,
"number_observations_unique": 4412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 17.92
},
{
"type": "Completeness",
"value": 99.58
},
{
"type": "Redundancy",
"value": 3.22
}
]
},
{
"resolution_limits": [4.38,3.79],
"number_observations": 13609,
"number_observations_unique": 3904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 25.18
},
{
"type": "Completeness",
"value": 99.58
},
{
"type": "Redundancy",
"value": 3.49
}
]
},
{
"resolution_limits": [5.37,4.38],
"number_observations": 11053,
"number_observations_unique": 3291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 28.74
},
{
"type": "Completeness",
"value": 99.21
},
{
"type": "Redundancy",
"value": 3.36
}
]
},
{
"resolution_limits": [7.59,5.37],
"number_observations": 7830,
"number_observations_unique": 2542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 27.76
},
{
"type": "Completeness",
"value": 98.56
},
{
"type": "Redundancy",
"value": 3.08
}
]
},
{
"resolution_limits": [109.55,7.59],
"number_observations": 4961,
"number_observations_unique": 1437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 34.48
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 3.45
}
]
}
]
}