Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ffbbf7c2d7287f9e42ddfd60e83108cd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.318,
"b": 101.555,
"c": 137.313,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920,0.97940,0.91160],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.579,2.20],
"number_observations": 322328,
"number_observations_unique": 40038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 9.930
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.05
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations": 32659,
"number_observations_unique": 3990,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.172
},
{
"type": "R(meas)",
"value": 1.250
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations": 32654,
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.047
},
{
"type": "R(meas)",
"value": 1.114
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations": 33199,
"number_observations_unique": 4014,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.022
},
{
"type": "R(meas)",
"value": 1.088
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations": 31582,
"number_observations_unique": 3922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "R(meas)",
"value": 0.818
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations": 30021,
"number_observations_unique": 3883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.574
},
{
"type": "R(meas)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.980,2.770],
"number_observations": 32812,
"number_observations_unique": 3911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.280,2.980],
"number_observations": 33192,
"number_observations_unique": 4045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.760,3.280],
"number_observations": 31658,
"number_observations_unique": 4065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 16.6
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.720,3.760],
"number_observations": 32404,
"number_observations_unique": 4022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [48.579,4.720],
"number_observations": 32147,
"number_observations_unique": 4296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 26.8
},
{
"type": "Completeness",
"value": 99.100
}
]
}
]
}