Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "16888f2f8149098659a983a99ba8d9bf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.980,
"b": 75.107,
"c": 92.846,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.848,2.000],
"number_observations_unique": 29725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 15519,
"number_observations_unique": 4031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 14786,
"number_observations_unique": 3870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 13824,
"number_observations_unique": 3738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 13337,
"number_observations_unique": 3573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 12638,
"number_observations_unique": 3381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 11698,
"number_observations_unique": 3086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 10504,
"number_observations_unique": 2784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 8459,
"number_observations_unique": 2332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.0
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [6.320,4.470],
"number_observations": 6823,
"number_observations_unique": 1843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.7
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [46.424,6.320],
"number_observations": 3969,
"number_observations_unique": 1087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.3
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}