Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a3d2e754cd9923e329db48b54d96af5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 92.279,
"b": 109.455,
"c": 104.199,
"alpha": 90.00,
"beta": 92.05,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.132,1.900],
"number_observations_unique": 149181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.900],
"number_observations": 58853,
"number_observations_unique": 22528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.120,2.000],
"number_observations": 56756,
"number_observations_unique": 21271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.270,2.120],
"number_observations": 50542,
"number_observations_unique": 19324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.450,2.270],
"number_observations": 48582,
"number_observations_unique": 18085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [2.690,2.450],
"number_observations": 45534,
"number_observations_unique": 16647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.000,2.690],
"number_observations": 40922,
"number_observations_unique": 14836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [3.470,3.000],
"number_observations": 35798,
"number_observations_unique": 12896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [4.250,3.470],
"number_observations": 29310,
"number_observations_unique": 10684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [6.010,4.250],
"number_observations": 23766,
"number_observations_unique": 8333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [48.445,6.010],
"number_observations": 13166,
"number_observations_unique": 4577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 2.900
}
]
}
]
}