Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f710ddf2c5a30bf43ed843317c16bbb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.491,
"b": 59.949,
"c": 41.946,
"alpha": 90.00,
"beta": 98.11,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,0.960],
"number_observations": 702557,
"number_observations_unique": 119590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.960],
"number_observations_unique": 8636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "Completeness",
"value": 70.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.030,0.990],
"number_observations_unique": 11850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.080,1.030],
"number_observations_unique": 12264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.140,1.080],
"number_observations_unique": 12358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.210,1.140],
"number_observations_unique": 12366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.300,1.210],
"number_observations_unique": 12390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.430,1.300],
"number_observations_unique": 12373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [1.640,1.430],
"number_observations_unique": 12352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.070,1.640],
"number_observations_unique": 12446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [50.000,2.070],
"number_observations_unique": 12555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.200
}
]
}
]
}