Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f0ed02905ebba8d1d5e61fc7b89f7e7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.244,
"b": 134.617,
"c": 87.794,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.578],
"number_observations_unique": 65845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 19.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations_unique": 3221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [1.640,1.610],
"number_observations_unique": 3240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.670,1.640],
"number_observations_unique": 3231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.700,1.670],
"number_observations_unique": 3229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.740,1.700],
"number_observations_unique": 3259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.780,1.740],
"number_observations_unique": 3236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.820,1.780],
"number_observations_unique": 3275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.870,1.820],
"number_observations_unique": 3300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.930,1.870],
"number_observations_unique": 3233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.990,1.930],
"number_observations_unique": 3260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.060,1.990],
"number_observations_unique": 3293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.140,2.060],
"number_observations_unique": 3304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.240,2.140],
"number_observations_unique": 3275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.360,2.240],
"number_observations_unique": 3291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.510,2.360],
"number_observations_unique": 3302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.700,2.510],
"number_observations_unique": 3328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [2.970,2.700],
"number_observations_unique": 3317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.700
}
]
},
{
"resolution_limits": [3.400,2.970],
"number_observations_unique": 3361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
}
]
},
{
"resolution_limits": [4.290,3.400],
"number_observations_unique": 3381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
}
]
},
{
"resolution_limits": [50.000,4.290],
"number_observations_unique": 3509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.200
}
]
}
]
}