Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a26e0b138909f773ea1c535e023e832",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 244.882,
"b": 65.395,
"c": 148.055,
"alpha": 90.00,
"beta": 115.18,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [133.982,2.800],
"number_observations": 182486,
"number_observations_unique": 51386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 27472,
"number_observations_unique": 7523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "R(meas)",
"value": 0.625
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.130,2.950],
"number_observations": 23331,
"number_observations_unique": 6940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.350,3.130],
"number_observations": 22462,
"number_observations_unique": 6535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.610,3.350],
"number_observations": 23961,
"number_observations_unique": 6288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.960,3.610],
"number_observations": 21184,
"number_observations_unique": 5762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.430,3.960],
"number_observations": 18297,
"number_observations_unique": 5189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [5.110,4.430],
"number_observations": 14463,
"number_observations_unique": 4488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [6.260,5.110],
"number_observations": 14898,
"number_observations_unique": 3925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [8.850,6.260],
"number_observations": 10077,
"number_observations_unique": 3011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [46.228,8.850],
"number_observations": 6341,
"number_observations_unique": 1725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}