Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4379b545429153f275a7adb1ab47b8cc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 91.24,
"b": 138.60,
"c": 195.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [113.055,3.800],
"number_observations": 73344,
"number_observations_unique": 23166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [4.010,3.800],
"number_observations": 10992,
"number_observations_unique": 3462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "R(pim)",
"value": 0.464
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [4.250,4.010],
"number_observations": 10023,
"number_observations_unique": 3216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [4.540,4.250],
"number_observations": 8414,
"number_observations_unique": 2773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.910,4.540],
"number_observations": 9502,
"number_observations_unique": 2835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [5.370,4.910],
"number_observations": 8404,
"number_observations_unique": 2603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [6.010,5.370],
"number_observations": 6806,
"number_observations_unique": 2227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [6.940,6.010],
"number_observations": 7026,
"number_observations_unique": 2156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [8.500,6.940],
"number_observations": 5525,
"number_observations_unique": 1776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [12.020,8.500],
"number_observations": 4387,
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [113.055,12.020],
"number_observations": 2265,
"number_observations_unique": 765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 84.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}