Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbd5a7476c813be078a39f3ff94d71f0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.51,
"b": 81.99,
"c": 58.62,
"alpha": 90.0,
"beta": 110.6,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.860],
"number_observations": 72627,
"number_observations_unique": 11331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.860],
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.748
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.960,2.910],
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.220,3.150],
"number_observations_unique": 557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.300,3.220],
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.390,3.300],
"number_observations_unique": 558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [3.490,3.390],
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.600,3.490],
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.730,3.600],
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.880,3.730],
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [4.060,3.880],
"number_observations_unique": 540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [4.270,4.060],
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [4.540,4.270],
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [4.890,4.540],
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [5.380,4.890],
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [6.160,5.380],
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [7.750,6.160],
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [50.000,7.750],
"number_observations_unique": 592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}