Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7852a352b0a0494205dec80c72209cc4",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 102.136,
"b": 102.136,
"c": 171.425,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.850],
"number_observations": 440197,
"number_observations_unique": 45811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.850],
"number_observations_unique": 4477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.681
},
{
"type": "I/SigI",
"value": 2.30
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [1.990,1.920],
"number_observations_unique": 4487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.080,1.990],
"number_observations_unique": 4502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.190,2.080],
"number_observations_unique": 4508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.330,2.190],
"number_observations_unique": 4520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.510,2.330],
"number_observations_unique": 4531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.760,2.510],
"number_observations_unique": 4581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [3.160,2.760],
"number_observations_unique": 4601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [3.990,3.160],
"number_observations_unique": 4662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [50.000,3.990],
"number_observations_unique": 4942,
"quality_factors": [
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.000
}
]
}
]
}