Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b8ac1906d9c4a5fe5907619ffdcf1ff",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.003,
"b": 79.806,
"c": 101.655,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99985,1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.809,1.500],
"number_observations": 694292,
"number_observations_unique": 84560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 61889,
"number_observations_unique": 12458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.680,1.580],
"number_observations": 59251,
"number_observations_unique": 11862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.790,1.680],
"number_observations": 53679,
"number_observations_unique": 11132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.940,1.790],
"number_observations": 44286,
"number_observations_unique": 9977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.120,1.940],
"number_observations": 35560,
"number_observations_unique": 8682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.370,2.120],
"number_observations": 50849,
"number_observations_unique": 8010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.740,2.370],
"number_observations": 134726,
"number_observations_unique": 7727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.400
}
]
},
{
"resolution_limits": [3.350,2.740],
"number_observations": 113227,
"number_observations_unique": 6571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.200
}
]
},
{
"resolution_limits": [4.740,3.350],
"number_observations": 90264,
"number_observations_unique": 5160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
}
]
},
{
"resolution_limits": [79.809,4.740],
"number_observations": 50561,
"number_observations_unique": 2981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.000
}
]
}
]
}