Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1920fbd0359eed8b6bbe7b769ca781d2",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 67.999,
"b": 67.999,
"c": 140.692,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92020],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.2200,1.520],
"number_observations_unique": 51425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations_unique": 2542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
}
]
},
{
"resolution_limits": [1.570,1.550],
"number_observations_unique": 2505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.826
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [1.600,1.570],
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.732
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [1.640,1.600],
"number_observations_unique": 2506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [1.670,1.640],
"number_observations_unique": 2541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [1.710,1.670],
"number_observations_unique": 2533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [1.750,1.710],
"number_observations_unique": 2529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [1.800,1.750],
"number_observations_unique": 2539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [1.860,1.800],
"number_observations_unique": 2554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [1.920,1.860],
"number_observations_unique": 2552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [1.980,1.920],
"number_observations_unique": 2543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [2.060,1.980],
"number_observations_unique": 2566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [2.160,2.060],
"number_observations_unique": 2562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [2.270,2.160],
"number_observations_unique": 2588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [2.410,2.270],
"number_observations_unique": 2574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
}
]
},
{
"resolution_limits": [2.600,2.410],
"number_observations_unique": 2581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [2.860,2.600],
"number_observations_unique": 2604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [3.270,2.860],
"number_observations_unique": 2631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
{
"resolution_limits": [4.130,3.270],
"number_observations_unique": 2586,
"quality_factors": [
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [50.000,4.130],
"number_observations_unique": 2855,
"quality_factors": [
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.200
}
]
}
]
}