Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94948dbdc7a274b3cf610d6e5477971b",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 139.410,
"b": 139.410,
"c": 453.156,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [120.733,2.600],
"number_observations": 1695738,
"number_observations_unique": 81169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.600],
"number_observations": 251897,
"number_observations_unique": 11640,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.319
},
{
"type": "R(meas)",
"value": 1.350
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.600
}
]
},
{
"resolution_limits": [2.910,2.740],
"number_observations": 237650,
"number_observations_unique": 11028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.863
},
{
"type": "R(meas)",
"value": 0.883
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.500
}
]
},
{
"resolution_limits": [3.110,2.910],
"number_observations": 222385,
"number_observations_unique": 10357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.518
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.500
}
]
},
{
"resolution_limits": [3.360,3.110],
"number_observations": 206399,
"number_observations_unique": 9687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.300
}
]
},
{
"resolution_limits": [3.680,3.360],
"number_observations": 189497,
"number_observations_unique": 8980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
}
]
},
{
"resolution_limits": [4.110,3.680],
"number_observations": 169735,
"number_observations_unique": 8150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
}
]
},
{
"resolution_limits": [4.750,4.110],
"number_observations": 148520,
"number_observations_unique": 7251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
}
]
},
{
"resolution_limits": [5.810,4.750],
"number_observations": 120002,
"number_observations_unique": 6224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
}
]
},
{
"resolution_limits": [8.220,5.810],
"number_observations": 93216,
"number_observations_unique": 4920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
}
]
},
{
"resolution_limits": [59.838,8.220],
"number_observations": 56437,
"number_observations_unique": 2932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 19.200
}
]
}
]
}