Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59ca360a5914c65f1cbcb81ac5146c4c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 4.821,
"b": 19.500,
"c": 21.004,
"alpha": 90.00,
"beta": 94.23,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,1.700],
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.700],
"number_observations_unique": 82,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.020,1.830],
"number_observations_unique": 83,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.310,2.020],
"number_observations_unique": 99,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.910,2.310],
"number_observations_unique": 78,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [90.000,2.910],
"number_observations_unique": 96,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
}
]
}