Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4e1ae761178054afbe9f72d2ae84321",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.449,
"b": 59.944,
"c": 41.964,
"alpha": 90.00,
"beta": 98.42,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,0.960],
"number_observations_unique": 117982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.960],
"number_observations_unique": 7812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 63.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [1.030,0.990],
"number_observations_unique": 11272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.080,1.030],
"number_observations_unique": 12300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.140,1.080],
"number_observations_unique": 12348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.210,1.140],
"number_observations_unique": 12342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.300,1.210],
"number_observations_unique": 12347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.430,1.300],
"number_observations_unique": 12372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.640,1.430],
"number_observations_unique": 12346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.070,1.640],
"number_observations_unique": 12336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [50.000,2.070],
"number_observations_unique": 12507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.600
}
]
}
]
}