Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2093c75ee3e76b0433f2d389db124ada",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 62.616,
"b": 62.808,
"c": 45.053,
"alpha": 90.00,
"beta": 122.08,
"gamma": 90.00
},
"wavelengths": [1.07810],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.150],
"number_observations_unique": 49038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations_unique": 2374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.190,1.170],
"number_observations_unique": 2346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.210,1.190],
"number_observations_unique": 2347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.240,1.210],
"number_observations_unique": 2412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.270,1.240],
"number_observations_unique": 2388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.300,1.270],
"number_observations_unique": 2413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.330,1.300],
"number_observations_unique": 2395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.360,1.330],
"number_observations_unique": 2447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.400,1.360],
"number_observations_unique": 2451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.450,1.400],
"number_observations_unique": 2418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.500,1.450],
"number_observations_unique": 2472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.560,1.500],
"number_observations_unique": 2487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.630,1.560],
"number_observations_unique": 2480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.720,1.630],
"number_observations_unique": 2514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.830,1.720],
"number_observations_unique": 2484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.970,1.830],
"number_observations_unique": 2539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.160,1.970],
"number_observations_unique": 2552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.480,2.160],
"number_observations_unique": 2569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.120,2.480],
"number_observations_unique": 2585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [50.000,3.120],
"number_observations_unique": 2365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}