Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "437415d66cfcb272b10f5351d31ad32e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.697,
"b": 41.493,
"c": 72.645,
"alpha": 90.00,
"beta": 104.38,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.900],
"number_observations_unique": 18921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 1915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 1942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 1942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 1959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 1945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 1938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [30.000,4.090],
"number_observations_unique": 1960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.600
}
]
}
]
}