Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2cd331b81c7804f12c1767807be5e15",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 48.073,
"b": 48.073,
"c": 475.025,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations": 112859,
"number_observations_unique": 12106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 63.700
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "Completeness",
"value": 76.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "Completeness",
"value": 82.600
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [6.780,5.380],
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [50.000,6.780],
"number_observations_unique": 823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.200
}
]
}
]
}