Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72c4b0f074647dd58a681da563ea8569",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 183.079,
"b": 59.340,
"c": 67.440,
"alpha": 90.00,
"beta": 94.85,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.212,1.600],
"number_observations": 316674,
"number_observations_unique": 93786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 39804,
"number_observations_unique": 12618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.436
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [1.790,1.690],
"number_observations": 43066,
"number_observations_unique": 12961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.310
},
{
"type": "R(pim)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [1.910,1.790],
"number_observations": 40547,
"number_observations_unique": 12272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.070,1.910],
"number_observations": 38003,
"number_observations_unique": 11453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.260,2.070],
"number_observations": 35468,
"number_observations_unique": 10545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.530,2.260],
"number_observations": 32696,
"number_observations_unique": 9580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.920,2.530],
"number_observations": 29845,
"number_observations_unique": 8451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.580,2.920],
"number_observations": 25937,
"number_observations_unique": 7195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.060,3.580],
"number_observations": 20257,
"number_observations_unique": 5581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [36.898,5.060],
"number_observations": 11051,
"number_observations_unique": 3130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}