Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31e824adbd7352666f4987fd11137a30",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 39.142,
"b": 79.215,
"c": 134.141,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97922],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.150],
"number_observations": 849054,
"number_observations_unique": 139092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.150],
"number_observations_unique": 13387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.240,1.190],
"number_observations_unique": 13347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.300,1.240],
"number_observations_unique": 13202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.360,1.300],
"number_observations_unique": 13180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.450,1.360],
"number_observations_unique": 13284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [1.560,1.450],
"number_observations_unique": 13633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.720,1.560],
"number_observations_unique": 14013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.970,1.720],
"number_observations_unique": 14571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.480,1.970],
"number_observations_unique": 14958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [50.000,2.480],
"number_observations_unique": 15517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
}
]
}