Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58ef2fb23c7e139ed34d8836f977246a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.10,
"b": 52.40,
"c": 80.25,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.600],
"number_observations_unique": 30737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations_unique": 1773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 86.700
}
]
},
{
"resolution_limits": [1.680,1.640],
"number_observations_unique": 2033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [1.720,1.680],
"number_observations_unique": 2007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [1.770,1.720],
"number_observations_unique": 2038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [1.830,1.770],
"number_observations_unique": 2022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [1.900,1.830],
"number_observations_unique": 2058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 2084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.060,1.970],
"number_observations_unique": 2060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.170,2.060],
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.310,2.170],
"number_observations_unique": 2076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.490,2.310],
"number_observations_unique": 2066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [2.740,2.490],
"number_observations_unique": 2076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.130,2.740],
"number_observations_unique": 2092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [3.940,3.130],
"number_observations_unique": 2117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [40.000,3.940],
"number_observations_unique": 2148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 94.800
}
]
}
]
}