Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d49e0cc01d3d96d77f09bf3461ac10a5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.310,
"b": 45.349,
"c": 61.533,
"alpha": 90.00,
"beta": 94.95,
"gamma": 90.00
},
"wavelengths": [0.97914],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.350],
"number_observations": 57461,
"number_observations_unique": 10025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations_unique": 1009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.530,2.430],
"number_observations_unique": 1014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.650,2.530],
"number_observations_unique": 994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.790,2.650],
"number_observations_unique": 1002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.960,2.790],
"number_observations_unique": 1021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.190,2.960],
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [3.510,3.190],
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [4.020,3.510],
"number_observations_unique": 950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [5.060,4.020],
"number_observations_unique": 1003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [50.000,5.060],
"number_observations_unique": 1023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}