Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5e60c3e02a523186365071a010c54bc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.966,
"b": 54.641,
"c": 56.596,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91160],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.966,1.00],
"number_observations_unique": 70138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 36240,
"number_observations_unique": 10049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.120,1.060],
"number_observations": 35561,
"number_observations_unique": 9642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.200,1.120],
"number_observations": 34110,
"number_observations_unique": 9064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [1.290,1.200],
"number_observations": 32874,
"number_observations_unique": 8463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.420,1.290],
"number_observations": 30723,
"number_observations_unique": 7793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.580,1.420],
"number_observations": 28022,
"number_observations_unique": 7068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.830,1.580],
"number_observations": 24898,
"number_observations_unique": 6305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.240,1.830],
"number_observations": 20960,
"number_observations_unique": 5333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.170,2.240],
"number_observations": 16439,
"number_observations_unique": 4201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [41.966,3.170],
"number_observations": 7782,
"number_observations_unique": 2220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 29.400
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}