Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c65a7b7cc719e88a6a81303331c2abc0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.288,
"b": 69.767,
"c": 125.793,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97639],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.715,1.450],
"number_observations": 502549,
"number_observations_unique": 80244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.450],
"number_observations": 52122,
"number_observations_unique": 11061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.710
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.620,1.530],
"number_observations": 69208,
"number_observations_unique": 11031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.730,1.620],
"number_observations": 67662,
"number_observations_unique": 10391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [1.870,1.730],
"number_observations": 61478,
"number_observations_unique": 9682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.050,1.870],
"number_observations": 61315,
"number_observations_unique": 8977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.290,2.050],
"number_observations": 55548,
"number_observations_unique": 8121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.650,2.290],
"number_observations": 45521,
"number_observations_unique": 7192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.240,2.650],
"number_observations": 41469,
"number_observations_unique": 6165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [4.590,3.240],
"number_observations": 30904,
"number_observations_unique": 4821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 25.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [47.492,4.590],
"number_observations": 17322,
"number_observations_unique": 2803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}