Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41ddf5d618f2903e1e1b8476d5d52966",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 19.618,
"b": 9.459,
"c": 19.672,
"alpha": 90.00,
"beta": 92.92,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.400],
"number_observations": 13204,
"number_observations_unique": 1309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 29.300
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations_unique": 92,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 61.700
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations_unique": 105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 66.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations_unique": 121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 75.200
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.660,1.580],
"number_observations_unique": 111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 79.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [1.760,1.660],
"number_observations_unique": 120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 82.200
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
{
"resolution_limits": [1.900,1.760],
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [2.090,1.900],
"number_observations_unique": 142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.390,2.090],
"number_observations_unique": 166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [3.020,2.390],
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [50.000,3.020],
"number_observations_unique": 160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 13.500
}
]
}
]
}