Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "603a8ea2020e0dfd00c279d377b71fd1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.513,
"b": 106.799,
"c": 108.235,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.735,1.685],
"number_observations_unique": 42289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.250],
"number_observations": 46329,
"number_observations_unique": 6119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations": 44048,
"number_observations_unique": 5751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.690,2.520],
"number_observations": 41889,
"number_observations_unique": 5436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.900,2.690],
"number_observations": 39162,
"number_observations_unique": 5077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.180,2.900],
"number_observations": 36026,
"number_observations_unique": 4662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.560,3.180],
"number_observations": 32898,
"number_observations_unique": 4262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [4.110,3.560],
"number_observations": 29099,
"number_observations_unique": 3783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [5.030,4.110],
"number_observations": 24546,
"number_observations_unique": 3217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [7.120,5.030],
"number_observations": 18902,
"number_observations_unique": 2539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [29.735,7.120],
"number_observations": 9622,
"number_observations_unique": 1443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
}
]
}